(2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2R)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-2-phenyl-acetamide CAS Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2R)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-2-phenyl-acetamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)[C@H](C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H25N3O3S/c22-21(25)20(17-5-2-1-3-6-17)23-11-13-24(14-12-23)28(26,27)19-10-9-16-7-4-8-18(16)15-19/h1-3,5-6,9-10,15,20H,4,7-8,11-14H2,(H2,22,25)/p+1/t20-/m1/s1