(2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2,5-dimethylphenyl)-2-phenyl-acetamide Formula: C27H29N4O3S+ MolecularWeight: 489.60916

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H28N4O3S/c1-20-12-13-21(2)24(18-20)29-27(32)26(22-8-4-3-5-9-22)30-14-16-31(17-15-30)35(33,34)25-11-7-6-10-23(25)19-28/h3-13,18,26H,14-17H2,1-2H3,(H,29,32)/p+1/t26-/m0/s1