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

Systemtic Name: 3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: 3-nitro-4-[4-(3-pyridylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: 3-nitro-4-[4-(3-pyridinylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: 3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: 3-nitro-4-[4-(3-pyridylmethyl)piperazino]benzenesulfonamide Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O4S/c17-26(24,25)14-3-4-15(16(10-14)21(22)23)20-8-6-19(7-9-20)12-13-2-1-5-18-11-13/h1-5,10-11H,6-9,12H2,(H2,17,24,25)