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

Systemtic Name: 3-[1-(4-chlorophenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid Openeye Name: 3-[1-(4-chlorophenyl)sulfonyl-5-methoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-(4-chlorophenyl)sulfonyl-5-methoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-(4-chlorophenyl)sulfonyl-5-methoxyindol-3-yl]propanoic acid Traditional Name: 3-[1-(4-chlorophenyl)sulfonyl-5-methoxy-indol-3-yl]propionic acid Formula: C18H16ClNO5S MolecularWeight: 393.84134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO5S/c1-25-14-5-8-17-16(10-14)12(2-9-18(21)22)11-20(17)26(23,24)15-6-3-13(19)4-7-15/h3-8,10-11H,2,9H2,1H3,(H,21,22)