N-ethyl-3-nitro-N-phenyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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