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

Systemtic Name: N-[4-[(4-chlorophenyl)methylsulfanyl]-2-[(4-methylphenyl)sulfonylamino]-5-nitro-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[(4-chlorophenyl)methylsulfanyl]-5-nitro-2-(p-tolylsulfonylamino)phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[(4-chlorophenyl)methylthio]-2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[(4-chlorophenyl)methylsulfanyl]-2-[(4-methylphenyl)sulfonylamino]-5-nitrophenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[(4-chlorobenzyl)thio]-5-nitro-2-(tosylamino)phenyl]-4-methyl-benzenesulfonamide Formula: C27H24ClN3O6S3 MolecularWeight: 618.14396

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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)Cl)[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)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H24ClN3O6S3/c1-18-3-11-22(12-4-18)39(34,35)29-24-15-26(31(32)33)27(38-17-20-7-9-21(28)10-8-20)16-25(24)30-40(36,37)23-13-5-19(2)6-14-23/h3-16,29-30H,17H2,1-2H3