(2S)-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: (2S)-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: (2S)-2-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-(2-phenylsulfanylphenyl)propanamide CAS Name: (2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: (2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: (2S)-2-(N-mesyl-3,4-dimethyl-anilino)-N-[2-(phenylthio)phenyl]propionamide Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N([C@@H](C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C24H26N2O3S2/c1-17-14-15-20(16-18(17)2)26(31(4,28)29)19(3)24(27)25-22-12-8-9-13-23(22)30-21-10-6-5-7-11-21/h5-16,19H,1-4H3,(H,25,27)/t19-/m0/s1