tert-butyl 13-cyclohexyl-10-(methylsulfonylcarbamoyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-5-carboxylate

Systemtic Name: tert-butyl 13-cyclohexyl-10-(methylsulfonylcarbamoyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-5-carboxylate Openeye Name: tert-butyl 13-cyclohexyl-10-(methylsulfonylcarbamoyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-5-carboxylate CAS Name: 13-cyclohexyl-10-[methanesulfonamido(oxo)methyl]-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 13-cyclohexyl-10-(methylsulfonylcarbamoyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-5-carboxylate Traditional Name: 13-cyclohexyl-10-(mesylcarbamoyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-5-carboxylic acid tert-butyl ester Formula: C29H35N3O5S MolecularWeight: 537.6703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN2C3=C(C=CC(=C3)C(=O)NS(=O)(=O)C)C(=C2C4=CC=CC=C41)C5CCCCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN2C3=C(C=CC(=C3)C(=O)NS(=O)(=O)C)C(=C2C4=CC=CC=C41)C5CCCCC5

InChI

InChI=1S/C29H35N3O5S/c1-29(2,3)37-28(34)32-17-16-31-24-18-20(27(33)30-38(4,35)36)14-15-21(24)25(19-10-6-5-7-11-19)26(31)22-12-8-9-13-23(22)32/h8-9,12-15,18-19H,5-7,10-11,16-17H2,1-4H3,(H,30,33)