N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanesulfonamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanesulfonamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]ethanesulfonamide CAS Name: N-[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]ethanesulfonamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]ethanesulfonamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]ethanesulfonamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S/c1-2-27(25,26)21-19-10-8-18(9-11-19)20(24)23-14-12-22(13-15-23)16-17-6-4-3-5-7-17/h3-11,21H,2,12-16H2,1H3/p+1