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

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-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-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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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)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H23N3O5S/c1-15-21(18-6-2-3-7-19(18)24-15)20(26)14-30-22(27)16-8-11-25(12-9-16)31(28,29)17-5-4-10-23-13-17/h2-7,10,13,16,24H,8-9,11-12,14H2,1H3