[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H22N2O5S/c1-12-17(14-5-3-4-6-15(14)19-12)16(21)11-25-18(22)13-7-9-20(10-8-13)26(2,23)24/h3-6,13,19H,7-11H2,1-2H3