N-(2-methylpropylcarbamoyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-methylpropylcarbamoyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(isobutylcarbamoyl)acetamide CAS Name: N-[(2-methylpropylamino)-oxomethyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(isobutylcarbamoyl)acetamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H28N4O4S/c1-15(2)12-19-18(24)20-17(23)13-21-8-10-22(11-9-21)27(25,26)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H2,19,20,23,24)/p+1