2-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-indol-3-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-indol-3-yl]sulfanylethanoic acid Openeye Name: 2-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-indol-3-yl]sulfanylacetic acid CAS Name: 2-[[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-3-indolyl]thio]acetic acid IUPAC Name: 2-[1-(3,4-dichlorophenyl)sulfonyl-5-methoxyindol-3-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3,4-dichlorophenyl)sulfonyl-5-methoxy-indol-3-yl]thio]acetic acid Formula: C17H13Cl2NO5S2 MolecularWeight: 446.32482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2SCC(=O)O)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2SCC(=O)O)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H13Cl2NO5S2/c1-25-10-2-5-15-12(6-10)16(26-9-17(21)22)8-20(15)27(23,24)11-3-4-13(18)14(19)7-11/h2-8H,9H2,1H3,(H,21,22)