[(2R)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-oxidanylidene-1-[4-(1-sulfamoylpiperidin-4-yl)piperidin-1-yl]propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Systemtic Name: [(2R)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-oxidanylidene-1-[4-(1-sulfamoylpiperidin-4-yl)piperidin-1-yl]propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Openeye Name: [(1R)-1-[(3,5-dibromo-4-hydroxy-phenyl)methyl]-2-oxo-2-[4-(1-sulfamoyl-4-piperidyl)-1-piperidyl]ethyl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)-1-piperidinecarboxylic acid [(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-[4-(1-sulfamoyl-4-piperidinyl)-1-piperidinyl]propan-2-yl] ester IUPAC Name: [(2R)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxo-1-[4-(1-sulfamoylpiperidin-4-yl)piperidin-1-yl]propan-2-yl] 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylic acid [(1R)-1-(3,5-dibromo-4-hydroxy-benzyl)-2-keto-2-[4-(1-sulfamoyl-4-piperidyl)piperidino]ethyl] ester Formula: C34H44Br2N6O7S MolecularWeight: 840.62216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(CC2)S(=O)(=O)N)C(=O)C(CC3=CC(=C(C(=C3)Br)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

Isomeric SMILES

C1CN(CCC1C2CCN(CC2)S(=O)(=O)N)C(=O)[C@@H](CC3=CC(=C(C(=C3)Br)O)Br)OC(=O)N4CCC(CC4)N5CCC6=CC=CC=C6NC5=O

InChI

InChI=1S/C34H44Br2N6O7S/c35-27-19-22(20-28(36)31(27)43)21-30(32(44)39-12-5-23(6-13-39)24-7-16-41(17-8-24)50(37,47)48)49-34(46)40-14-10-26(11-15-40)42-18-9-25-3-1-2-4-29(25)38-33(42)45/h1-4,19-20,23-24,26,30,43H,5-18,21H2,(H,38,45)(H2,37,47,48)/t30-/m1/s1