methyl 2-[1-(phenylsulfonyl)indol-2-yl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[1-(phenylsulfonyl)indol-2-yl]pyridine-3-carboxylate Openeye Name: methyl 2-[1-(benzenesulfonyl)indol-2-yl]pyridine-3-carboxylate CAS Name: 2-[1-(benzenesulfonyl)-2-indolyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(benzenesulfonyl)indol-2-yl]pyridine-3-carboxylate Traditional Name: 2-(1-besylindol-2-yl)nicotinic acid methyl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4

InChI

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