4-[3-[(4-methylphenyl)sulfonylamino]-5-(3-nitrophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]butanoic acid

Systemtic Name: 4-[3-[(4-methylphenyl)sulfonylamino]-5-(3-nitrophenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]butanoic acid Openeye Name: 4-[5-(3-nitrophenyl)-2-oxo-3-(p-tolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]butanoic acid CAS Name: 4-[3-[(4-methylphenyl)sulfonylamino]-5-(3-nitrophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]butanoic acid IUPAC Name: 4-[3-[(4-methylphenyl)sulfonylamino]-5-(3-nitrophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]butanoic acid Traditional Name: 4-[2-keto-5-(3-nitrophenyl)-3-(tosylamino)-3H-1,4-benzodiazepin-1-yl]butyric acid Formula: C26H24N4O7S MolecularWeight: 536.55636

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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-])CCCC(=O)O

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-])CCCC(=O)O

InChI

InChI=1S/C26H24N4O7S/c1-17-11-13-20(14-12-17)38(36,37)28-25-26(33)29(15-5-10-23(31)32)22-9-3-2-8-21(22)24(27-25)18-6-4-7-19(16-18)30(34)35/h2-4,6-9,11-14,16,25,28H,5,10,15H2,1H3,(H,31,32)