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

Systemtic Name: 3-[1-(4-cyanophenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid Openeye Name: 3-[1-(4-cyanophenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-(4-cyanophenyl)sulfonyl-5-methoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-(4-cyanophenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid Traditional Name: 3-[1-(4-cyanophenyl)sulfonyl-5-methoxy-indol-3-yl]propionic acid Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H16N2O5S/c1-26-15-5-8-18-17(10-15)14(4-9-19(22)23)12-21(18)27(24,25)16-6-2-13(11-20)3-7-16/h2-3,5-8,10,12H,4,9H2,1H3,(H,22,23)