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

Systemtic Name: 2-[5-methoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]sulfanylethanoic acid Openeye Name: 2-[5-methoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]sulfanylacetic acid CAS Name: 2-[[5-methoxy-1-(4-methoxyphenyl)sulfonyl-3-indolyl]thio]acetic acid IUPAC Name: 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]sulfanylacetic acid Traditional Name: 2-[[5-methoxy-1-(4-methoxyphenyl)sulfonyl-indol-3-yl]thio]acetic acid Formula: C18H17NO6S2 MolecularWeight: 407.46068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)SCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)SCC(=O)O

InChI

InChI=1S/C18H17NO6S2/c1-24-12-3-6-14(7-4-12)27(22,23)19-10-17(26-11-18(20)21)15-9-13(25-2)5-8-16(15)19/h3-10H,11H2,1-2H3,(H,20,21)