4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide Openeye Name: 4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide CAS Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[4-[(phenylthio)methyl]phenyl]benzamide IUPAC Name: 4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]benzamide Traditional Name: 4-[(N-mesyl-3,4-dimethyl-anilino)methyl]-N-[4-[(phenylthio)methyl]phenyl]benzamide Formula: C30H30N2O3S2 MolecularWeight: 530.7008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CSC4=CC=CC=C4)S(=O)(=O)C)C

InChI

InChI=1S/C30H30N2O3S2/c1-22-9-18-28(19-23(22)2)32(37(3,34)35)20-24-10-14-26(15-11-24)30(33)31-27-16-12-25(13-17-27)21-36-29-7-5-4-6-8-29/h4-19H,20-21H2,1-3H3,(H,31,33)