(2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenyl-acetamide CAS Name: (2R)-2-[4-(2-cyanophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-methoxyphenyl)-2-phenylacetamide IUPAC Name: (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide Traditional Name: (2R)-2-[4-(2-cyanophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)-2-phenyl-acetamide Formula: C26H27N4O4S+ MolecularWeight: 491.58198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H26N4O4S/c1-34-23-12-7-11-22(18-23)28-26(31)25(20-8-3-2-4-9-20)29-14-16-30(17-15-29)35(32,33)24-13-6-5-10-21(24)19-27/h2-13,18,25H,14-17H2,1H3,(H,28,31)/p+1/t25-/m1/s1