2-[(2-methoxy-5-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[(2-methoxy-5-methyl-phenyl)-(4-methylphenyl)sulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-[2-methoxy-5-methyl-N-(p-tolylsulfonyl)anilino]acetamide CAS Name: 2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(2-methoxy-5-methyl-N-tosyl-anilino)acetamide Formula: C27H32N2O4S2 MolecularWeight: 512.68398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCSCC2=CC=CC=C2)C3=C(C=CC(=C3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCSCC2=CC=CC=C2)C3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C27H32N2O4S2/c1-21-10-13-24(14-11-21)35(31,32)29(25-18-22(2)12-15-26(25)33-3)19-27(30)28-16-7-17-34-20-23-8-5-4-6-9-23/h4-6,8-15,18H,7,16-17,19-20H2,1-3H3,(H,28,30)