N-butan-2-yl-4-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-butan-2-yl-4-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 4-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]-N-sec-butyl-benzenesulfonamide CAS Name: N-butan-2-yl-4-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-butan-2-yl-4-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]-N-sec-butyl-benzenesulfonamide Formula: C21H25ClN4O5S MolecularWeight: 480.965

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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=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O5S/c1-3-15(2)23-32(30,31)18-7-4-16(5-8-18)21(27)25-12-10-24(11-13-25)19-9-6-17(22)14-20(19)26(28)29/h4-9,14-15,23H,3,10-13H2,1-2H3