[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-methylindolin-1-yl)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-(2-methylindolin-1-yl)ethyl] ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H24N2O5S2/c1-15-13-17-5-2-3-6-18(17)23(15)19(24)14-28-21(25)16-8-10-22(11-9-16)30(26,27)20-7-4-12-29-20/h2-7,12,15-16H,8-11,13-14H2,1H3