tert-butyl 4-[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-methyl-1-methylsulfonyl-indoline-5-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(1-mesyl-2-methyl-indoline-5-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N3O5S/c1-14-12-16-13-15(6-7-17(16)23(14)29(5,26)27)18(24)21-8-10-22(11-9-21)19(25)28-20(2,3)4/h6-7,13-14H,8-12H2,1-5H3