[1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-indan-5-yl-1-methyl-2-oxo-ethyl) 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 1-(4-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-cyanophenyl)sulfonylisonipecotic acid (2-indan-5-yl-2-keto-1-methyl-ethyl) ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H26N2O5S/c1-17(24(28)22-8-7-19-3-2-4-21(19)15-22)32-25(29)20-11-13-27(14-12-20)33(30,31)23-9-5-18(16-26)6-10-23/h5-10,15,17,20H,2-4,11-14H2,1H3