[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl] 2-methyl-1-methylsulfonyl-indoline-5-carboxylate CAS Name: 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-1-yl)-2-oxoethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesyl-2-methyl-indoline-5-carboxylic acid [2-(4-benzylpiperazino)-2-keto-ethyl] ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)OCC(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O5S/c1-18-14-21-15-20(8-9-22(21)27(18)33(2,30)31)24(29)32-17-23(28)26-12-10-25(11-13-26)16-19-6-4-3-5-7-19/h3-9,15,18H,10-14,16-17H2,1-2H3