[(2R)-3-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

Systemtic Name: [(2R)-3-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1-oxidanylidene-propan-2-yl] 4-(2-oxidanylidene-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate Openeye Name: [(1R)-1-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-[4-(4-methylsulfonylpiperazin-1-yl)-1-piperidyl]-2-oxo-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-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(4-methylsulfonyl-1-piperazinyl)-1-piperidinyl]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-3-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]-1-oxopropan-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)-2-keto-2-[4-(4-mesylpiperazino)piperidino]-1-[(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]ethyl] ester Formula: C37H50N6O8S MolecularWeight: 738.8933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CC(C(=O)N3CCC(CC3)N4CCN(CC4)S(=O)(=O)C)OC(=O)N5CCC(CC5)N6CCC7=CC=CC=C7NC6=O)OCCO2

Isomeric SMILES

CC1=C2C(=CC(=C1)C[C@H](C(=O)N3CCC(CC3)N4CCN(CC4)S(=O)(=O)C)OC(=O)N5CCC(CC5)N6CCC7=CC=CC=C7NC6=O)OCCO2

InChI

InChI=1S/C37H50N6O8S/c1-26-23-27(24-32-34(26)50-22-21-49-32)25-33(35(44)40-12-8-29(9-13-40)39-17-19-42(20-18-39)52(2,47)48)51-37(46)41-14-10-30(11-15-41)43-16-7-28-5-3-4-6-31(28)38-36(43)45/h3-6,23-24,29-30,33H,7-22,25H2,1-2H3,(H,38,45)/t33-/m1/s1