2-[2-oxidanylidene-5-phenyl-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-5-phenyl-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-5-phenyl-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[2-oxo-5-phenyl-3-(8-quinolinylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[2-oxo-5-phenyl-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[2-keto-5-phenyl-3-(8-quinolylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C26H20N4O5S MolecularWeight: 500.5258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)O)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(C(=O)N(C3=CC=CC=C32)CC(=O)O)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

InChI

InChI=1S/C26H20N4O5S/c31-22(32)16-30-20-13-5-4-12-19(20)23(17-8-2-1-3-9-17)28-25(26(30)33)29-36(34,35)21-14-6-10-18-11-7-15-27-24(18)21/h1-15,25,29H,16H2,(H,31,32)