(2S)-N-[(4-methylphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(p-tolylmethyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-methylbenzyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H25N3O3S2/c1-15-5-7-17(8-6-15)14-20-19(23)16(2)21-9-11-22(12-10-21)27(24,25)18-4-3-13-26-18/h3-8,13,16H,9-12,14H2,1-2H3,(H,20,23)/p+1/t16-/m0/s1