4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-3-nitro-benzenesulfonamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C18H22N4O4S/c1-13-4-3-5-16(14(13)2)20-8-10-21(11-9-20)17-7-6-15(27(19,25)26)12-18(17)22(23)24/h3-7,12H,8-11H2,1-2H3,(H2,19,25,26)