4-[1-[5-methoxy-1-(phenylsulfonyl)indol-2-yl]-1-oxidanyl-ethyl]pyridine-3-carboxylic acid

Systemtic Name: 4-[1-[5-methoxy-1-(phenylsulfonyl)indol-2-yl]-1-oxidanyl-ethyl]pyridine-3-carboxylic acid Openeye Name: 4-[1-[1-(benzenesulfonyl)-5-methoxy-indol-2-yl]-1-hydroxy-ethyl]pyridine-3-carboxylic acid CAS Name: 4-[1-[1-(benzenesulfonyl)-5-methoxy-2-indolyl]-1-hydroxyethyl]-3-pyridinecarboxylic acid IUPAC Name: 4-[1-[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-1-hydroxyethyl]pyridine-3-carboxylic acid Traditional Name: 4-[1-(1-besyl-5-methoxy-indol-2-yl)-1-hydroxy-ethyl]nicotinic acid Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=NC=C1)C(=O)O)(C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)OC)O

Isomeric SMILES

CC(C1=C(C=NC=C1)C(=O)O)(C2=CC3=C(N2S(=O)(=O)C4=CC=CC=C4)C=CC(=C3)OC)O

InChI

InChI=1S/C23H20N2O6S/c1-23(28,19-10-11-24-14-18(19)22(26)27)21-13-15-12-16(31-2)8-9-20(15)25(21)32(29,30)17-6-4-3-5-7-17/h3-14,28H,1-2H3,(H,26,27)