(1-azanyl-1-oxidanylidene-propan-2-yl) 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 1-indan-5-ylsulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-piperidinecarboxylic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-indan-5-ylsulfonylisonipecotic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC(C(=O)N)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C18H24N2O5S/c1-12(17(19)21)25-18(22)14-7-9-20(10-8-14)26(23,24)16-6-5-13-3-2-4-15(13)11-16/h5-6,11-12,14H,2-4,7-10H2,1H3,(H2,19,21)