[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Openeye Name: [2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate CAS Name: 1-[(2-chlorophenyl)methyl]-4-pyrazolecarboxylic acid [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2-chlorobenzyl)pyrazole-4-carboxylic acid [2-(1-esylindolin-5-yl)-2-keto-ethyl] ester Formula: C23H22ClN3O5S MolecularWeight: 487.95588

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3=CN(N=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H22ClN3O5S/c1-2-33(30,31)27-10-9-16-11-17(7-8-21(16)27)22(28)15-32-23(29)19-12-25-26(14-19)13-18-5-3-4-6-20(18)24/h3-8,11-12,14H,2,9-10,13,15H2,1H3