3-[5-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[5-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[1-(4-isopropylphenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid CAS Name: 3-[5-methoxy-1-(4-propan-2-ylphenyl)sulfonyl-3-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindol-3-yl]propanoic acid Traditional Name: 3-(5-methoxy-1-p-cumenylsulfonyl-indol-3-yl)propionic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-14(2)15-4-8-18(9-5-15)28(25,26)22-13-16(6-11-21(23)24)19-12-17(27-3)7-10-20(19)22/h4-5,7-10,12-14H,6,11H2,1-3H3,(H,23,24)