3-nitro-N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: 3-nitro-N-[4-[4-(3-thienylmethyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide CAS Name: 3-nitro-N-[4-[oxo-[4-(3-thiophenylmethyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[4-[4-(thiophen-3-ylmethyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: 3-nitro-N-[4-[4-(3-thenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S2/c27-22(25-11-9-24(10-12-25)15-17-8-13-32-16-17)18-4-6-19(7-5-18)23-33(30,31)21-3-1-2-20(14-21)26(28)29/h1-8,13-14,16,23H,9-12,15H2