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

Systemtic Name: (2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenyl-acetamide CAS Name: (2R)-N-(3-methoxyphenyl)-2-phenyl-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenylacetamide Traditional Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)-2-phenyl-acetamide Formula: C26H30N3O4S+ MolecularWeight: 480.5991

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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)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-33-24-14-8-13-23(19-24)27-26(30)25(22-11-6-3-7-12-22)28-15-17-29(18-16-28)34(31,32)20-21-9-4-2-5-10-21/h2-14,19,25H,15-18,20H2,1H3,(H,27,30)/p+1/t25-/m1/s1