[[(2S,4R)-4-[[2,5-bis(bromanyl)phenyl]sulfonylamino]-1-cyano-pyrrolidin-2-yl]-(4-methoxyphenyl)methyl]-methyl-carbamic acid

Systemtic Name: [[(2S,4R)-4-[[2,5-bis(bromanyl)phenyl]sulfonylamino]-1-cyano-pyrrolidin-2-yl]-(4-methoxyphenyl)methyl]-methyl-carbamic acid Openeye Name: [[(2S,4R)-1-cyano-4-[(2,5-dibromophenyl)sulfonylamino]pyrrolidin-2-yl]-(4-methoxyphenyl)methyl]-methyl-carbamic acid CAS Name: [[(2S,4R)-1-cyano-4-[(2,5-dibromophenyl)sulfonylamino]-2-pyrrolidinyl]-(4-methoxyphenyl)methyl]-methylcarbamic acid IUPAC Name: [[(2S,4R)-1-cyano-4-[(2,5-dibromophenyl)sulfonylamino]pyrrolidin-2-yl]-(4-methoxyphenyl)methyl]-methylcarbamic acid Traditional Name: [[(2S,4R)-1-cyano-4-[(2,5-dibromophenyl)sulfonylamino]pyrrolidin-2-yl]-(4-methoxyphenyl)methyl]-methyl-carbamic acid Formula: C21H22Br2N4O5S MolecularWeight: 602.29618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C1CC(CN1C#N)NS(=O)(=O)C2=C(C=CC(=C2)Br)Br)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CN(C([C@@H]1C[C@H](CN1C#N)NS(=O)(=O)C2=C(C=CC(=C2)Br)Br)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C21H22Br2N4O5S/c1-26(21(28)29)20(13-3-6-16(32-2)7-4-13)18-10-15(11-27(18)12-24)25-33(30,31)19-9-14(22)5-8-17(19)23/h3-9,15,18,20,25H,10-11H2,1-2H3,(H,28,29)/t15-,18+,20?/m1/s1