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

Systemtic Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(3-chlorobenzyl)piperazino]-3-nitro-benzenesulfonamide Formula: C17H19ClN4O4S MolecularWeight: 410.87516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O4S/c18-14-3-1-2-13(10-14)12-20-6-8-21(9-7-20)16-5-4-15(27(19,25)26)11-17(16)22(23)24/h1-5,10-11H,6-9,12H2,(H2,19,25,26)