(2R)-N-cyclopropyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-N-cyclopropyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-N-cyclopropyl-2-phenyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: (2R)-N-cyclopropyl-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-N-cyclopropyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-N-cyclopropyl-2-phenyl-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H27N3O3S/c1-17-7-11-20(12-8-17)29(27,28)25-15-13-24(14-16-25)21(18-5-3-2-4-6-18)22(26)23-19-9-10-19/h2-8,11-12,19,21H,9-10,13-16H2,1H3,(H,23,26)/p+1/t21-/m1/s1