[2-[(4R)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[(4R)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-[(4R)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[C@@H]1CC(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O6S/c1-13-11-18(23)21-16-5-3-4-6-17(16)22(13)19(24)12-28-20(25)14-7-9-15(10-8-14)29(2,26)27/h3-10,13H,11-12H2,1-2H3,(H,21,23)/t13-/m1/s1