N-(4-butylphenyl)-4-methyl-3-(3-oxidanylidenepiperazin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(4-butylphenyl)-4-methyl-3-(3-oxidanylidenepiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(4-butylphenyl)-4-methyl-3-(3-oxopiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(4-butylphenyl)-4-methyl-3-[oxo-(3-oxo-1-piperazinyl)methyl]benzenesulfonamide IUPAC Name: N-(4-butylphenyl)-4-methyl-3-(3-oxopiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(4-butylphenyl)-3-(3-ketopiperazine-1-carbonyl)-4-methyl-benzenesulfonamide Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCNC(=O)C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCNC(=O)C3

InChI

InChI=1S/C22H27N3O4S/c1-3-4-5-17-7-9-18(10-8-17)24-30(28,29)19-11-6-16(2)20(14-19)22(27)25-13-12-23-21(26)15-25/h6-11,14,24H,3-5,12-13,15H2,1-2H3,(H,23,26)