N-butan-2-yl-4-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-butan-2-yl-4-[4-(2-nitrophenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-[4-(2-nitrophenyl)piperazine-1-carbonyl]-N-sec-butyl-benzenesulfonamide CAS Name: N-butan-2-yl-4-[[4-(2-nitrophenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-butan-2-yl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-(2-nitrophenyl)piperazine-1-carbonyl]-N-sec-butyl-benzenesulfonamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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