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

Systemtic Name: 2-[5-(3-aminophenyl)-3-[(4-methylphenyl)sulfonylamino]-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[5-(3-aminophenyl)-2-oxo-3-(p-tolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[5-(3-aminophenyl)-3-[(4-methylphenyl)sulfonylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[5-(3-aminophenyl)-3-[(4-methylphenyl)sulfonylamino]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[5-(3-aminophenyl)-2-keto-3-(tosylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C24H22N4O5S MolecularWeight: 478.52028

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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)CC(=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)CC(=O)O

InChI

InChI=1S/C24H22N4O5S/c1-15-9-11-18(12-10-15)34(32,33)27-23-24(31)28(14-21(29)30)20-8-3-2-7-19(20)22(26-23)16-5-4-6-17(25)13-16/h2-13,23,27H,14,25H2,1H3,(H,29,30)