tert-butyl N-[5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-1-methylsulfonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-1-methylsulfonyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-methylsulfonyl-5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[5-[2-(2-methylphenyl)-2-oxoethyl]-1-methylsulfonyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[2-(2-methylphenyl)-2-oxoethyl]-1-methylsulfonyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[4-keto-5-[2-keto-2-(o-tolyl)ethyl]-1-mesyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)OC(C)(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)OC(C)(C)C)S(=O)(=O)C

InChI

InChI=1S/C24H29N3O6S/c1-16-10-6-7-11-17(16)21(28)15-26-19-12-8-9-13-20(19)27(34(5,31)32)14-18(22(26)29)25-23(30)33-24(2,3)4/h6-13,18H,14-15H2,1-5H3,(H,25,30)