N-[2-[(4-methylphenyl)sulfonylamino]-1-phenyl-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(4-methylphenyl)sulfonylamino]-1-phenyl-ethyl]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-N-[1-phenyl-2-(p-tolylsulfonylamino)ethyl]benzenesulfonamide CAS Name: N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(4-methylphenyl)sulfonylamino]-1-phenylethyl]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-N-[1-phenyl-2-(tosylamino)ethyl]benzenesulfonamide Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6S2/c1-16-10-12-19(13-11-16)31(27,28)22-15-21(17-6-3-2-4-7-17)23-32(29,30)20-9-5-8-18(14-20)24(25)26/h2-14,21-23H,15H2,1H3