3-[6-methoxy-3-(4-methylphenyl)sulfonyl-indol-1-yl]propanoic acid

Systemtic Name: 3-[6-methoxy-3-(4-methylphenyl)sulfonyl-indol-1-yl]propanoic acid Openeye Name: 3-[6-methoxy-3-(p-tolylsulfonyl)indol-1-yl]propanoic acid CAS Name: 3-[6-methoxy-3-(4-methylphenyl)sulfonyl-1-indolyl]propanoic acid IUPAC Name: 3-[6-methoxy-3-(4-methylphenyl)sulfonylindol-1-yl]propanoic acid Traditional Name: 3-(6-methoxy-3-tosyl-indol-1-yl)propionic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=C2C=CC(=C3)OC)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=C2C=CC(=C3)OC)CCC(=O)O

InChI

InChI=1S/C19H19NO5S/c1-13-3-6-15(7-4-13)26(23,24)18-12-20(10-9-19(21)22)17-11-14(25-2)5-8-16(17)18/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)