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

Systemtic Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenyl-ethanone Openeye Name: (2R)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-1-morpholino-2-phenyl-ethanone CAS Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]-1-(4-morpholinyl)-2-phenylethanone IUPAC Name: (2R)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-1-morpholin-4-yl-2-phenylethanone Traditional Name: (2R)-2-(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)-1-morpholino-2-phenyl-ethanone Formula: C25H32N3O4S+ MolecularWeight: 470.60428

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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)N5CCOCC5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)[C@H](C4=CC=CC=C4)C(=O)N5CCOCC5

InChI

InChI=1S/C25H31N3O4S/c29-25(27-15-17-32-18-16-27)24(21-5-2-1-3-6-21)26-11-13-28(14-12-26)33(30,31)23-10-9-20-7-4-8-22(20)19-23/h1-3,5-6,9-10,19,24H,4,7-8,11-18H2/p+1/t24-/m1/s1