N-(4-butylphenyl)-4-chloranyl-3-(4-ethanoylpiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(4-butylphenyl)-4-chloranyl-3-(4-ethanoylpiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: 3-(4-acetylpiperazine-1-carbonyl)-N-(4-butylphenyl)-4-chloro-benzenesulfonamide CAS Name: 3-[(4-acetyl-1-piperazinyl)-oxomethyl]-N-(4-butylphenyl)-4-chlorobenzenesulfonamide IUPAC Name: 3-(4-acetylpiperazine-1-carbonyl)-N-(4-butylphenyl)-4-chlorobenzenesulfonamide Traditional Name: 3-(4-acetylpiperazine-1-carbonyl)-N-(4-butylphenyl)-4-chloro-benzenesulfonamide Formula: C23H28ClN3O4S MolecularWeight: 478.00412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C23H28ClN3O4S/c1-3-4-5-18-6-8-19(9-7-18)25-32(30,31)20-10-11-22(24)21(16-20)23(29)27-14-12-26(13-15-27)17(2)28/h6-11,16,25H,3-5,12-15H2,1-2H3