methyl 2-[1-(phenylsulfonyl)indol-2-yl]pyridine-4-carboxylate

Systemtic Name: methyl 2-[1-(phenylsulfonyl)indol-2-yl]pyridine-4-carboxylate Openeye Name: methyl 2-[1-(benzenesulfonyl)indol-2-yl]pyridine-4-carboxylate CAS Name: 2-[1-(benzenesulfonyl)-2-indolyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(benzenesulfonyl)indol-2-yl]pyridine-4-carboxylate Traditional Name: 2-(1-besylindol-2-yl)isonicotinic acid methyl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC=C1)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=NC=C1)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O4S/c1-27-21(24)16-11-12-22-18(13-16)20-14-15-7-5-6-10-19(15)23(20)28(25,26)17-8-3-2-4-9-17/h2-14H,1H3