3-[[(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-(3-iodanylphenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[(4-chloranyl-2,5-dimethyl-phenyl)sulfonyl-(3-iodanylphenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[(4-chloro-2,5-dimethyl-phenyl)sulfonyl-(3-iodophenyl)methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(4-chloro-2,5-dimethylphenyl)sulfonyl-(3-iodophenyl)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[(4-chloro-2,5-dimethylphenyl)sulfonyl-(3-iodophenyl)methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[(4-chloro-2,5-dimethyl-phenyl)sulfonyl-(3-iodophenyl)methyl]amino]-5-phenyl-2-thenoic acid Formula: C26H21ClINO4S2 MolecularWeight: 637.93671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)C(C2=CC(=CC=C2)I)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)C(C2=CC(=CC=C2)I)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H21ClINO4S2/c1-15-12-23(16(2)11-20(15)27)35(32,33)25(18-9-6-10-19(28)13-18)29-21-14-22(34-24(21)26(30)31)17-7-4-3-5-8-17/h3-14,25,29H,1-2H3,(H,30,31)