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

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-3-nitro-4-[4-(3-pyridylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-[4-(3-pyridinylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-3-nitro-4-[4-(3-pyridylmethyl)piperazino]benzenesulfonamide Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CN=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CN=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H27N5O4S/c1-18-5-7-22(19(2)14-18)26-34(32,33)21-6-8-23(24(15-21)29(30)31)28-12-10-27(11-13-28)17-20-4-3-9-25-16-20/h3-9,14-16,26H,10-13,17H2,1-2H3