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

Systemtic Name: methyl 1-(2-azanyl-2-cyclohexyl-ethanoyl)-4-[(3-bromophenyl)sulfonylamino]pyrrolidine-2-carboxylate Openeye Name: methyl 1-(2-amino-2-cyclohexyl-acetyl)-4-[(3-bromophenyl)sulfonylamino]pyrrolidine-2-carboxylate CAS Name: 1-(2-amino-2-cyclohexyl-1-oxoethyl)-4-[(3-bromophenyl)sulfonylamino]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-amino-2-cyclohexylacetyl)-4-[(3-bromophenyl)sulfonylamino]pyrrolidine-2-carboxylate Traditional Name: 1-(2-amino-2-cyclohexyl-acetyl)-4-[(3-bromophenyl)sulfonylamino]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H28BrN3O5S MolecularWeight: 502.42242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28BrN3O5S/c1-29-20(26)17-11-15(23-30(27,28)16-9-5-8-14(21)10-16)12-24(17)19(25)18(22)13-6-3-2-4-7-13/h5,8-10,13,15,17-18,23H,2-4,6-7,11-12,22H2,1H3