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

Systemtic Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 4-phenyl-1-thiophen-2-ylsulfonyl-piperidine-4-carboxylate Openeye Name: [2-(2-methylindolin-1-yl)-2-oxo-ethyl] 4-phenyl-1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 4-phenyl-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] 4-phenyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 4-phenyl-1-(2-thienylsulfonyl)isonipecotic acid [2-keto-2-(2-methylindolin-1-yl)ethyl] ester Formula: C27H28N2O5S2 MolecularWeight: 524.65162

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3(CCN(CC3)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3(CCN(CC3)S(=O)(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H28N2O5S2/c1-20-18-21-8-5-6-11-23(21)29(20)24(30)19-34-26(31)27(22-9-3-2-4-10-22)13-15-28(16-14-27)36(32,33)25-12-7-17-35-25/h2-12,17,20H,13-16,18-19H2,1H3