N-butyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-butyl-3-[4-(4-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-butyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-butyl-3-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-butyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-butyl-3-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-2-3-11-22-31(29,30)20-6-4-5-17(16-20)21(26)24-14-12-23(13-15-24)18-7-9-19(10-8-18)25(27)28/h4-10,16,22H,2-3,11-15H2,1H3