tert-butyl 4-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-indolin-1-ylsulfonylbenzoyl)piperazine-1-carboxylate CAS Name: 4-[[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]piperazine-1-carboxylate Traditional Name: 4-(3-indolin-1-ylsulfonylbenzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O5S/c1-24(2,3)32-23(29)26-15-13-25(14-16-26)22(28)19-8-6-9-20(17-19)33(30,31)27-12-11-18-7-4-5-10-21(18)27/h4-10,17H,11-16H2,1-3H3