methyl 1-[2-cyclohexyl-2-(prop-2-enoylamino)ethanoyl]-4-[(4-iodophenyl)sulfonylamino]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-cyclohexyl-2-(prop-2-enoylamino)ethanoyl]-4-[(4-iodophenyl)sulfonylamino]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-cyclohexyl-2-(prop-2-enoylamino)acetyl]-4-[(4-iodophenyl)sulfonylamino]pyrrolidine-2-carboxylate CAS Name: 1-[2-cyclohexyl-1-oxo-2-(1-oxoprop-2-enylamino)ethyl]-4-[(4-iodophenyl)sulfonylamino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-cyclohexyl-2-(prop-2-enoylamino)acetyl]-4-[(4-iodophenyl)sulfonylamino]pyrrolidine-2-carboxylate Traditional Name: 1-(2-acrylamido-2-cyclohexyl-acetyl)-4-[(4-iodophenyl)sulfonylamino]pyrrolidine-2-carboxylic acid methyl ester Formula: C23H30IN3O6S MolecularWeight: 603.47027

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30IN3O6S/c1-3-20(28)25-21(15-7-5-4-6-8-15)22(29)27-14-17(13-19(27)23(30)33-2)26-34(31,32)18-11-9-16(24)10-12-18/h3,9-12,15,17,19,21,26H,1,4-8,13-14H2,2H3,(H,25,28)