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

Systemtic Name: tert-butyl 2-[5-(3-formamidophenyl)-3-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-(3-formamidophenyl)-2-oxo-3-(p-tolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-(3-formamidophenyl)-3-[(4-methylphenyl)sulfonylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-(3-formamidophenyl)-3-[(4-methylphenyl)sulfonylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[5-(3-formamidophenyl)-2-keto-3-(tosylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester Formula: C29H30N4O6S MolecularWeight: 562.6367

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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)NC=O)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)NC=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C29H30N4O6S/c1-19-12-14-22(15-13-19)40(37,38)32-27-28(36)33(17-25(35)39-29(2,3)4)24-11-6-5-10-23(24)26(31-27)20-8-7-9-21(16-20)30-18-34/h5-16,18,27,32H,17H2,1-4H3,(H,30,34)