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

Systemtic Name: 3-[(3-chloranyl-2,4-dimethyl-phenyl)sulfonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(3-chloro-2,4-dimethyl-phenyl)sulfonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(3-chloro-2,4-dimethylphenyl)sulfonyl-methylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(3-chloro-2,4-dimethylphenyl)sulfonyl-methylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(3-chloro-2,4-dimethyl-phenyl)sulfonyl-methyl-amino]-5-phenyl-2-thenoic acid Formula: C20H18ClNO4S2 MolecularWeight: 435.94422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)S(=O)(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)S(=O)(=O)N(C)C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C)Cl

InChI

InChI=1S/C20H18ClNO4S2/c1-12-9-10-17(13(2)18(12)21)28(25,26)22(3)15-11-16(27-19(15)20(23)24)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,23,24)