Free Chemical Databases
-
[Synonyms]
87689-61-0
[Structure]
[ Properties Computed from Structure]
Molecular Weight 345.45582 [g/mol] Molecular Formula C19H23NO3S XLogP 3.6 H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 6 Exact Mass 345.139864 MonoIsotopic Mass 345.139864 Topological Polar Surface Area 49.9 Heavy Atom Count 24 Formal Charge 0 Complexity 509 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 2 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2,4-dimethyl-N-(oxiran-2-ylmethyl)-N-(1-phenylethyl)benzenesulfonamide
Canonical SMILES: CC1=CC(=C(C=C1)S(=O)(=O)N(CC2CO2)C(C)C3=CC=CC=C3)C
InChI: InChI=1/C19H23NO3S/c1-14-9-10-19(15(2)11-14)24(21,
22)20(12-18-13-23-18)16(3)17-7-5-4-6-8-17/h4-11,16,18H,12-13H2,1-3H3
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