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

Systemtic Name: N-[5-[(2-chlorophenyl)methylamino]-2-[(4-methylphenyl)sulfonylamino]-4-nitro-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[5-[(2-chlorophenyl)methylamino]-4-nitro-2-(p-tolylsulfonylamino)phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[5-[(2-chlorophenyl)methylamino]-2-[(4-methylphenyl)sulfonylamino]-4-nitrophenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[5-[(2-chlorophenyl)methylamino]-2-[(4-methylphenyl)sulfonylamino]-4-nitrophenyl]-4-methylbenzenesulfonamide Traditional Name: N-[5-[(2-chlorobenzyl)amino]-4-nitro-2-(tosylamino)phenyl]-4-methyl-benzenesulfonamide Formula: C27H25ClN4O6S2 MolecularWeight: 601.0936

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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)[N+](=O)[O-])NCC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2NS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-])NCC4=CC=CC=C4Cl

InChI

InChI=1S/C27H25ClN4O6S2/c1-18-7-11-21(12-8-18)39(35,36)30-24-15-26(29-17-20-5-3-4-6-23(20)28)27(32(33)34)16-25(24)31-40(37,38)22-13-9-19(2)10-14-22/h3-16,29-31H,17H2,1-2H3