4-[2-(2-methylphenyl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(2-methylphenyl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: 3-nitro-4-[2-(o-tolyl)ethylamino]benzenesulfonamide CAS Name: 4-[2-(2-methylphenyl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(2-methylphenyl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: 3-nitro-4-[2-(o-tolyl)ethylamino]benzenesulfonamide Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CCNC2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O4S/c1-11-4-2-3-5-12(11)8-9-17-14-7-6-13(23(16,21)22)10-15(14)18(19)20/h2-7,10,17H,8-9H2,1H3,(H2,16,21,22)