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

Systemtic Name: (2R)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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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)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-17-8-10-20(11-9-17)28(26,27)24-14-12-23(13-15-24)18(2)21(25)22-16-19-6-4-3-5-7-19/h3-11,18H,12-16H2,1-2H3,(H,22,25)/p+1/t18-/m1/s1