methyl 6-[1-(phenylsulfonyl)indol-2-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[1-(phenylsulfonyl)indol-2-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[1-(benzenesulfonyl)indol-2-yl]pyridine-3-carboxylate CAS Name: 6-[1-(benzenesulfonyl)-2-indolyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[1-(benzenesulfonyl)indol-2-yl]pyridine-3-carboxylate Traditional Name: 6-(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=CN=C(C=C1)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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