N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanamide

Systemtic Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2-[(4-methylphenyl)sulfonyl-phenyl-amino]ethanamide Openeye Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2-[N-(p-tolylsulfonyl)anilino]acetamide CAS Name: 2-(N-(4-methylphenyl)sulfonylanilino)-N-[2-methyl-4-[(phenylthio)methyl]phenyl]acetamide IUPAC Name: N-[2-methyl-4-(phenylsulfanylmethyl)phenyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[2-methyl-4-[(phenylthio)methyl]phenyl]-2-(N-tosylanilino)acetamide Formula: C29H28N2O3S2 MolecularWeight: 516.67422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=C(C=C2)CSC3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=C(C=C2)CSC3=CC=CC=C3)C)C4=CC=CC=C4

InChI

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