(2R)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(methylcarbamoyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(methylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(methylcarbamoyl)-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C16H25N4O4S+ MolecularWeight: 369.4591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC(=O)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC(=O)NC

InChI

InChI=1S/C16H24N4O4S/c1-12-4-6-14(7-5-12)25(23,24)20-10-8-19(9-11-20)13(2)15(21)18-16(22)17-3/h4-7,13H,8-11H2,1-3H3,(H2,17,18,21,22)/p+1/t13-/m1/s1