2-(2-methylphenyl)-N-[1-[(4-methylphenyl)sulfonyl-methylsulfanyl-amino]-1-oxidanylidene-butan-2-yl]-4-(phenylmethoxymethyl)benzamide

Systemtic Name: 2-(2-methylphenyl)-N-[1-[(4-methylphenyl)sulfonyl-methylsulfanyl-amino]-1-oxidanylidene-butan-2-yl]-4-(phenylmethoxymethyl)benzamide Openeye Name: 4-(benzyloxymethyl)-N-[1-[methylsulfanyl(p-tolylsulfonyl)carbamoyl]propyl]-2-(o-tolyl)benzamide CAS Name: 2-(2-methylphenyl)-N-[1-[(4-methylphenyl)sulfonyl-(methylthio)amino]-1-oxobutan-2-yl]-4-(phenylmethoxymethyl)benzamide IUPAC Name: 2-(2-methylphenyl)-N-[1-[(4-methylphenyl)sulfonyl-methylsulfanylamino]-1-oxobutan-2-yl]-4-(phenylmethoxymethyl)benzamide Traditional Name: 4-(benzoxymethyl)-N-[1-[(methylthio)-tosyl-carbamoyl]propyl]-2-(o-tolyl)benzamide Formula: C34H36N2O5S2 MolecularWeight: 616.79004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(SC)S(=O)(=O)C1=CC=C(C=C1)C)NC(=O)C2=C(C=C(C=C2)COCC3=CC=CC=C3)C4=CC=CC=C4C

Isomeric SMILES

CCC(C(=O)N(SC)S(=O)(=O)C1=CC=C(C=C1)C)NC(=O)C2=C(C=C(C=C2)COCC3=CC=CC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C34H36N2O5S2/c1-5-32(34(38)36(42-4)43(39,40)28-18-15-24(2)16-19-28)35-33(37)30-20-17-27(23-41-22-26-12-7-6-8-13-26)21-31(30)29-14-10-9-11-25(29)3/h6-21,32H,5,22-23H2,1-4H3,(H,35,37)