[2,6-bis(bromanyl)-4-[(2R)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]-3-oxidanylidene-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propyl]phenyl] methanesulfonate

Systemtic Name: [2,6-bis(bromanyl)-4-[(2R)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]-3-oxidanylidene-2-[[4-(2-oxidanylidene-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]carbonylamino]propyl]phenyl] methanesulfonate Openeye Name: [2,6-dibromo-4-[(2R)-3-[4-(1-methylsulfonyl-4-piperidyl)-1-piperidyl]-3-oxo-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2,6-dibromo-4-[(2R)-3-[4-(1-methylsulfonyl-4-piperidinyl)-1-piperidinyl]-3-oxo-2-[[oxo-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)-1-piperidinyl]methyl]amino]propyl]phenyl] ester IUPAC Name: [2,6-dibromo-4-[(2R)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]-3-oxo-2-[[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]propyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2,6-dibromo-4-[(2R)-3-keto-2-[[4-(2-keto-1,4-dihydroquinazolin-3-yl)piperidine-1-carbonyl]amino]-3-[4-(1-mesyl-4-piperidyl)piperidino]propyl]phenyl] ester Formula: C35H46Br2N6O8S2 MolecularWeight: 902.71314

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C2CCN(CC2)C(=O)C(CC3=CC(=C(C(=C3)Br)OS(=O)(=O)C)Br)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2CCN(CC2)C(=O)[C@@H](CC3=CC(=C(C(=C3)Br)OS(=O)(=O)C)Br)NC(=O)N4CCC(CC4)N5CC6=CC=CC=C6NC5=O

InChI

InChI=1S/C35H46Br2N6O8S2/c1-52(47,48)42-17-9-25(10-18-42)24-7-13-40(14-8-24)33(44)31(21-23-19-28(36)32(29(37)20-23)51-53(2,49)50)39-34(45)41-15-11-27(12-16-41)43-22-26-5-3-4-6-30(26)38-35(43)46/h3-6,19-20,24-25,27,31H,7-18,21-22H2,1-2H3,(H,38,46)(H,39,45)/t31-/m1/s1