4-[1-(phenylsulfonyl)indol-2-yl]carbonylpyridine-3-carboxylic acid

Systemtic Name: 4-[1-(phenylsulfonyl)indol-2-yl]carbonylpyridine-3-carboxylic acid Openeye Name: 4-[1-(benzenesulfonyl)indole-2-carbonyl]pyridine-3-carboxylic acid CAS Name: 4-[[1-(benzenesulfonyl)-2-indolyl]-oxomethyl]-3-pyridinecarboxylic acid IUPAC Name: 4-[1-(benzenesulfonyl)indole-2-carbonyl]pyridine-3-carboxylic acid Traditional Name: 4-(1-besylindole-2-carbonyl)nicotinic acid Formula: C21H14N2O5S MolecularWeight: 406.41126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(=O)C4=C(C=NC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(=O)C4=C(C=NC=C4)C(=O)O

InChI

InChI=1S/C21H14N2O5S/c24-20(16-10-11-22-13-17(16)21(25)26)19-12-14-6-4-5-9-18(14)23(19)29(27,28)15-7-2-1-3-8-15/h1-13H,(H,25,26)