3-(2-chloranyl-4-methoxy-phenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carboxylic acid Openeye Name: 3-(2-chloro-4-methoxy-phenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carboxylic acid CAS Name: 3-[(2-chloro-4-methoxyphenyl)thio]-6-methylsulfonyl-1H-indole-2-carboxylic acid IUPAC Name: 3-(2-chloro-4-methoxyphenyl)sulfanyl-6-methylsulfonyl-1H-indole-2-carboxylic acid Traditional Name: 3-[(2-chloro-4-methoxy-phenyl)thio]-6-mesyl-1H-indole-2-carboxylic acid Formula: C17H14ClNO5S2 MolecularWeight: 411.87976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)SC2=C(NC3=C2C=CC(=C3)S(=O)(=O)C)C(=O)O)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)SC2=C(NC3=C2C=CC(=C3)S(=O)(=O)C)C(=O)O)Cl

InChI

InChI=1S/C17H14ClNO5S2/c1-24-9-3-6-14(12(18)7-9)25-16-11-5-4-10(26(2,22)23)8-13(11)19-15(16)17(20)21/h3-8,19H,1-2H3,(H,20,21)