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

Systemtic Name: N-ethyl-3-nitro-N-phenyl-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-ethyl-3-nitro-N-phenyl-4-[4-(4-pyridylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-ethyl-3-nitro-N-phenyl-4-[4-(pyridin-4-ylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-ethyl-3-nitro-N-phenyl-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-ethyl-3-nitro-N-phenyl-4-[4-(4-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=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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