methyl 4-[(3-bromophenyl)sulfonylamino]-1-[2-cyclohexyl-2-(pent-4-enoylamino)ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 4-[(3-bromophenyl)sulfonylamino]-1-[2-cyclohexyl-2-(pent-4-enoylamino)ethanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 4-[(3-bromophenyl)sulfonylamino]-1-[2-cyclohexyl-2-(pent-4-enoylamino)acetyl]pyrrolidine-2-carboxylate CAS Name: 4-[(3-bromophenyl)sulfonylamino]-1-[2-cyclohexyl-1-oxo-2-(1-oxopent-4-enylamino)ethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3-bromophenyl)sulfonylamino]-1-[2-cyclohexyl-2-(pent-4-enoylamino)acetyl]pyrrolidine-2-carboxylate Traditional Name: 4-[(3-bromophenyl)sulfonylamino]-1-[2-cyclohexyl-2-(pent-4-enoylamino)acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C25H34BrN3O6S MolecularWeight: 584.52296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)NC(=O)CCC=C)NS(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)NC(=O)CCC=C)NS(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C25H34BrN3O6S/c1-3-4-13-22(30)27-23(17-9-6-5-7-10-17)24(31)29-16-19(15-21(29)25(32)35-2)28-36(33,34)20-12-8-11-18(26)14-20/h3,8,11-12,14,17,19,21,23,28H,1,4-7,9-10,13,15-16H2,2H3,(H,27,30)