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

Systemtic Name: (2R)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: (2R)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]propanamide CAS Name: (2R)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: (2R)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: (2R)-N-[2-(2-thienyl)ethyl]-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NCCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-16-5-7-19(8-6-16)28(25,26)23-13-11-22(12-14-23)17(2)20(24)21-10-9-18-4-3-15-27-18/h3-8,15,17H,9-14H2,1-2H3,(H,21,24)/p+1/t17-/m1/s1