N-[(phenylmethyl)carbamoyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(phenylmethyl)carbamoyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(benzylcarbamoyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(benzylcarbamoyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(benzylcarbamoyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23N4O4S2+ MolecularWeight: 423.52962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N4O4S2/c23-16(20-18(24)19-13-15-5-2-1-3-6-15)14-21-8-10-22(11-9-21)28(25,26)17-7-4-12-27-17/h1-7,12H,8-11,13-14H2,(H2,19,20,23,24)/p+1