tert-butyl 2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-4-(4-methylisoquinolin-1-yl)oxy-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-4-(4-methylisoquinolin-1-yl)oxy-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-4-[(4-methyl-1-isoquinolyl)oxy]pyrrolidine-1-carboxylate CAS Name: 2-[[[1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]amino]-oxomethyl]-4-[(4-methyl-1-isoquinolinyl)oxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-(4-methylisoquinolin-1-yl)oxypyrrolidine-1-carboxylate Traditional Name: 2-[[1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-4-[(4-methyl-1-isoquinolyl)oxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C29H36N4O7S MolecularWeight: 584.68374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C2=CC=CC=C12)OC3CC(N(C3)C(=O)OC(C)(C)C)C(=O)NC4(CC4C=C)C(=O)NS(=O)(=O)C5CC5

Isomeric SMILES

CC1=CN=C(C2=CC=CC=C12)OC3CC(N(C3)C(=O)OC(C)(C)C)C(=O)NC4(CC4C=C)C(=O)NS(=O)(=O)C5CC5

InChI

InChI=1S/C29H36N4O7S/c1-6-18-14-29(18,26(35)32-41(37,38)20-11-12-20)31-24(34)23-13-19(16-33(23)27(36)40-28(3,4)5)39-25-22-10-8-7-9-21(22)17(2)15-30-25/h6-10,15,18-20,23H,1,11-14,16H2,2-5H3,(H,31,34)(H,32,35)