[(2S)-1-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(1-indan-5-ylsulfonylpiperidine-4-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(1-indan-5-ylsulfonylisonipecotoyl)amino]ethyl]-dimethyl-ammonium Formula: C26H36N3O3S+ MolecularWeight: 470.64734

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C26H35N3O3S/c1-28(2)24(17-20-7-4-3-5-8-20)19-27-26(30)22-13-15-29(16-14-22)33(31,32)25-12-11-21-9-6-10-23(21)18-25/h3-5,7-8,11-12,18,22,24H,6,9-10,13-17,19H2,1-2H3,(H,27,30)/p+1/t24-/m0/s1