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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-3-nitro-benzenesulfonamide Formula: C16H17ClN4O4S MolecularWeight: 396.84858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O4S/c17-12-2-1-3-13(10-12)19-6-8-20(9-7-19)15-5-4-14(26(18,24)25)11-16(15)21(22)23/h1-5,10-11H,6-9H2,(H2,18,24,25)