4-oxidanylidene-3-[[4-(propan-2-ylsulfanylcarbamoylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-3-[[4-(propan-2-ylsulfanylcarbamoylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]butanoic acid Openeye Name: 3-[[4-(isopropylsulfanylcarbamoylamino)-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 4-oxo-3-[[4-[[oxo-[(propan-2-ylthio)amino]methyl]amino]-2-[2-(5-quinolinyl)ethoxy]phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-oxo-3-[[4-(propan-2-ylsulfanylcarbamoylamino)-2-(2-quinolin-5-ylethoxy)phenyl]sulfonylamino]butanoic acid Traditional Name: 3-[[4-[(isopropylthio)carbamoylamino]-2-[2-(5-quinolyl)ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C25H28N4O7S2 MolecularWeight: 560.64242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SNC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=C3C=CC=NC3=CC=C2

Isomeric SMILES

CC(C)SNC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC2=C3C=CC=NC3=CC=C2

InChI

InChI=1S/C25H28N4O7S2/c1-16(2)37-28-25(33)27-18-8-9-23(38(34,35)29-19(15-30)14-24(31)32)22(13-18)36-12-10-17-5-3-7-21-20(17)6-4-11-26-21/h3-9,11,13,15-16,19,29H,10,12,14H2,1-2H3,(H,31,32)(H2,27,28,33)