N-butyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide

Systemtic Name: N-butyl-3-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-benzamide Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-butyl-benzamide CAS Name: N-butyl-3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzamide IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonyl-N-butylbenzamide Traditional Name: 3-(4-benzylpiperazino)sulfonyl-N-butyl-benzamide Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-2-3-12-23-22(26)20-10-7-11-21(17-20)29(27,28)25-15-13-24(14-16-25)18-19-8-5-4-6-9-19/h4-11,17H,2-3,12-16,18H2,1H3,(H,23,26)