2-[[4-[1-(2-methylphenyl)ethylamino]-3-nitro-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[4-[1-(2-methylphenyl)ethylamino]-3-nitro-phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[3-nitro-4-[1-(o-tolyl)ethylamino]phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[4-[1-(2-methylphenyl)ethylamino]-3-nitrophenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[4-[1-(2-methylphenyl)ethylamino]-3-nitrophenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[3-nitro-4-[1-(o-tolyl)ethylamino]phenyl]sulfonylamino]benzoic acid Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6S/c1-14-7-3-4-8-17(14)15(2)23-20-12-11-16(13-21(20)25(28)29)32(30,31)24-19-10-6-5-9-18(19)22(26)27/h3-13,15,23-24H,1-2H3,(H,26,27)