3-[5-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[5-methoxy-1-(4-methylphenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-methoxy-1-(p-tolylsulfonyl)indol-3-yl]propanoic acid CAS Name: 3-[5-methoxy-1-(4-methylphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-(5-methoxy-1-tosyl-indol-3-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)N2C=C(C3=C2C=CC(=C3)OC)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)OC)CCC(=O)O

InChI

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