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

Systemtic Name: N-(4-butylphenyl)-3-(3-oxidanylidenepiperazin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(4-butylphenyl)-3-(3-oxopiperazine-1-carbonyl)benzenesulfonamide CAS Name: N-(4-butylphenyl)-3-[oxo-(3-oxo-1-piperazinyl)methyl]benzenesulfonamide IUPAC Name: N-(4-butylphenyl)-3-(3-oxopiperazine-1-carbonyl)benzenesulfonamide Traditional Name: N-(4-butylphenyl)-3-(3-ketopiperazine-1-carbonyl)benzenesulfonamide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-2-3-5-16-8-10-18(11-9-16)23-29(27,28)19-7-4-6-17(14-19)21(26)24-13-12-22-20(25)15-24/h4,6-11,14,23H,2-3,5,12-13,15H2,1H3,(H,22,25)