N-[1-(4-methylphenyl)propyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[1-(4-methylphenyl)propyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(3-oxopiperazin-1-yl)sulfonyl-N-[1-(p-tolyl)propyl]benzamide CAS Name: N-[1-(4-methylphenyl)propyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[1-(4-methylphenyl)propyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-[1-(p-tolyl)propyl]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

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