N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-[methylsulfonyl-(phenylmethyl)amino]benzamide

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-4-[methylsulfonyl-(phenylmethyl)amino]benzamide Openeye Name: 4-[benzyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide CAS Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-4-[methylsulfonyl-(phenylmethyl)amino]benzamide IUPAC Name: 4-[benzyl(methylsulfonyl)amino]-N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]benzamide Traditional Name: 4-[benzyl(mesyl)amino]-N-[2-methyl-4-[(phenylthio)methyl]phenyl]benzamide Formula: C29H28N2O3S2 MolecularWeight: 516.67422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N(CC4=CC=CC=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)CSC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)N(CC4=CC=CC=C4)S(=O)(=O)C

InChI

InChI=1S/C29H28N2O3S2/c1-22-19-24(21-35-27-11-7-4-8-12-27)13-18-28(22)30-29(32)25-14-16-26(17-15-25)31(36(2,33)34)20-23-9-5-3-6-10-23/h3-19H,20-21H2,1-2H3,(H,30,32)