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

Systemtic Name: N-(2-chlorophenyl)-3-nitro-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-(2-chlorophenyl)-3-nitro-4-[4-(4-pyridylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-(2-chlorophenyl)-3-nitro-4-[4-(pyridin-4-ylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-(2-chlorophenyl)-3-nitro-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-(2-chlorophenyl)-3-nitro-4-[4-(4-pyridylmethyl)piperazino]benzenesulfonamide Formula: C22H22ClN5O4S MolecularWeight: 487.95918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C3=C(C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN5O4S/c23-19-3-1-2-4-20(19)25-33(31,32)18-5-6-21(22(15-18)28(29)30)27-13-11-26(12-14-27)16-17-7-9-24-10-8-17/h1-10,15,25H,11-14,16H2