(2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-N-(p-tolyl)acetamide CAS Name: (2S)-2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(4-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-N-(p-tolyl)acetamide Formula: C26H27N4O3S+ MolecularWeight: 475.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H26N4O3S/c1-20-11-13-23(14-12-20)28-26(31)25(21-7-3-2-4-8-21)29-15-17-30(18-16-29)34(32,33)24-10-6-5-9-22(24)19-27/h2-14,25H,15-18H2,1H3,(H,28,31)/p+1/t25-/m0/s1