4-[2-[(3-chloranyl-4-propylsulfonyl-thiophen-2-yl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[(3-chloranyl-4-propylsulfonyl-thiophen-2-yl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(3-chloro-4-propylsulfonyl-thiophene-2-carbonyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[(3-chloro-4-propylsulfonyl-2-thiophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(3-chloro-4-propylsulfonylthiophene-2-carbonyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(3-chloro-4-propylsulfonyl-thiophene-2-carbonyl)amino]phenoxy]phthalic acid Formula: C22H18ClNO8S2 MolecularWeight: 523.96322

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CSC(=C1Cl)C(=O)NC2=CC=CC=C2OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=CSC(=C1Cl)C(=O)NC2=CC=CC=C2OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H18ClNO8S2/c1-2-9-34(30,31)17-11-33-19(18(17)23)20(25)24-15-5-3-4-6-16(15)32-12-7-8-13(21(26)27)14(10-12)22(28)29/h3-8,10-11H,2,9H2,1H3,(H,24,25)(H,26,27)(H,28,29)