3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[[2-methylpropyl(phenethyl)sulfamoyl]amino]propanoic acid

Systemtic Name: 3-[4-[[3,5-bis(chloranyl)pyridin-4-yl]carbonylamino]phenyl]-2-[[2-methylpropyl(phenethyl)sulfamoyl]amino]propanoic acid Openeye Name: 3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[isobutyl(phenethyl)sulfamoyl]amino]propanoic acid CAS Name: 3-[4-[[(3,5-dichloro-4-pyridinyl)-oxomethyl]amino]phenyl]-2-[[2-methylpropyl(phenethyl)sulfamoyl]amino]propanoic acid IUPAC Name: 3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-methylpropyl(phenethyl)sulfamoyl]amino]propanoic acid Traditional Name: 3-[4-[(3,5-dichloroisonicotinoyl)amino]phenyl]-2-[[isobutyl(phenethyl)sulfamoyl]amino]propionic acid Formula: C27H30Cl2N4O5S MolecularWeight: 593.5219

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CCC1=CC=CC=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3Cl)Cl)C(=O)O

Isomeric SMILES

CC(C)CN(CCC1=CC=CC=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=NC=C3Cl)Cl)C(=O)O

InChI

InChI=1S/C27H30Cl2N4O5S/c1-18(2)17-33(13-12-19-6-4-3-5-7-19)39(37,38)32-24(27(35)36)14-20-8-10-21(11-9-20)31-26(34)25-22(28)15-30-16-23(25)29/h3-11,15-16,18,24,32H,12-14,17H2,1-2H3,(H,31,34)(H,35,36)