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

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2,5-dimethylphenyl)-2-phenyl-acetamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2,5-dimethylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2,5-dimethylphenyl)-2-phenyl-acetamide Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3S/c1-21-13-14-22(2)25(19-21)28-27(31)26(24-11-7-4-8-12-24)29-15-17-30(18-16-29)34(32,33)20-23-9-5-3-6-10-23/h3-14,19,26H,15-18,20H2,1-2H3,(H,28,31)/p+1/t26-/m0/s1