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

Systemtic Name: 3-[5-methoxy-1-(3-methylphenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-methoxy-1-(m-tolylsulfonyl)indol-3-yl]propanoic acid CAS Name: 3-[5-methoxy-1-(3-methylphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-1-(3-methylphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-methoxy-1-(m-tolylsulfonyl)indol-3-yl]propionic acid Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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