N-[4-[(4-methoxyphenyl)methylsulfanyl]-2-[(4-methylphenyl)sulfonylamino]-5-nitro-phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[(4-methoxyphenyl)methylsulfanyl]-2-[(4-methylphenyl)sulfonylamino]-5-nitro-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[(4-methoxyphenyl)methylsulfanyl]-5-nitro-2-(p-tolylsulfonylamino)phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[(4-methoxyphenyl)methylthio]-2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[(4-methoxyphenyl)methylsulfanyl]-2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl]-4-methylbenzenesulfonamide Traditional Name: 4-methyl-N-[5-nitro-4-(p-anisylthio)-2-(tosylamino)phenyl]benzenesulfonamide Formula: C28H27N3O7S3 MolecularWeight: 613.72488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2NS(=O)(=O)C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2NS(=O)(=O)C3=CC=C(C=C3)C)SCC4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C28H27N3O7S3/c1-19-4-12-23(13-5-19)40(34,35)29-25-16-27(31(32)33)28(39-18-21-8-10-22(38-3)11-9-21)17-26(25)30-41(36,37)24-14-6-20(2)7-15-24/h4-17,29-30H,18H2,1-3H3