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

Systemtic Name: tert-butyl 2-[3-[(4-methylphenyl)sulfonylamino]-5-(3-nitrophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[5-(3-nitrophenyl)-2-oxo-3-(p-tolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[3-[(4-methylphenyl)sulfonylamino]-5-(3-nitrophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(4-methylphenyl)sulfonylamino]-5-(3-nitrophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[2-keto-5-(3-nitrophenyl)-3-(tosylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid tert-butyl ester Formula: C28H28N4O7S MolecularWeight: 564.60952

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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)[N+](=O)[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)[N+](=O)[O-])CC(=O)OC(C)(C)C

InChI

InChI=1S/C28H28N4O7S/c1-18-12-14-21(15-13-18)40(37,38)30-26-27(34)31(17-24(33)39-28(2,3)4)23-11-6-5-10-22(23)25(29-26)19-8-7-9-20(16-19)32(35)36/h5-16,26,30H,17H2,1-4H3