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

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

Click to see the large picture

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=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O4S/c1-34-23-9-5-8-22(18-23)28-26(31)25(21-6-3-2-4-7-21)29-14-16-30(17-15-29)35(32,33)24-12-10-20(19-27)11-13-24/h2-13,18,25H,14-17H2,1H3,(H,28,31)/p+1/t25-/m0/s1