tert-butyl 2-[3-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-oxo-5-phenyl-3-(p-tolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[3-[(4-methylphenyl)sulfonylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(4-methylphenyl)sulfonylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[2-keto-5-phenyl-3-(tosylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester Formula: C28H29N3O5S MolecularWeight: 519.61196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)OC(C)(C)C

InChI

InChI=1S/C28H29N3O5S/c1-19-14-16-21(17-15-19)37(34,35)30-26-27(33)31(18-24(32)36-28(2,3)4)23-13-9-8-12-22(23)25(29-26)20-10-6-5-7-11-20/h5-17,26,30H,18H2,1-4H3