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

Systemtic Name: tert-butyl 13-cyclohexyl-10-(cyclopropylsulfonylcarbamoyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-5-carboxylate Openeye Name: tert-butyl 13-cyclohexyl-10-(cyclopropylsulfonylcarbamoyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-5-carboxylate CAS Name: 13-cyclohexyl-10-[(cyclopropylsulfonylamino)-oxomethyl]-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 13-cyclohexyl-10-(cyclopropylsulfonylcarbamoyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-5-carboxylate Traditional Name: 13-cyclohexyl-10-(cyclopropylsulfonylcarbamoyl)-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-5-carboxylic acid tert-butyl ester Formula: C31H37N3O5S MolecularWeight: 563.70758

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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)C4CC4)C(=C2C5=CC=CC=C51)C6CCCCC6

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN2C3=C(C=CC(=C3)C(=O)NS(=O)(=O)C4CC4)C(=C2C5=CC=CC=C51)C6CCCCC6

InChI

InChI=1S/C31H37N3O5S/c1-31(2,3)39-30(36)34-18-17-33-26-19-21(29(35)32-40(37,38)22-14-15-22)13-16-23(26)27(20-9-5-4-6-10-20)28(33)24-11-7-8-12-25(24)34/h7-8,11-13,16,19-20,22H,4-6,9-10,14-15,17-18H2,1-3H3,(H,32,35)