methyl 5-(1-methylindol-5-yl)-1-(phenylsulfonyl)-3,6-dihydro-2H-pyridine-2-carboxylate

Systemtic Name: methyl 5-(1-methylindol-5-yl)-1-(phenylsulfonyl)-3,6-dihydro-2H-pyridine-2-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-5-(1-methylindol-5-yl)-3,6-dihydro-2H-pyridine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-5-(1-methyl-5-indolyl)-3,6-dihydro-2H-pyridine-2-carboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-5-(1-methylindol-5-yl)-3,6-dihydro-2H-pyridine-2-carboxylate Traditional Name: 1-besyl-5-(1-methylindol-5-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2)C3=CCC(N(C3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2)C3=CCC(N(C3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-23-13-12-17-14-16(8-10-20(17)23)18-9-11-21(22(25)28-2)24(15-18)29(26,27)19-6-4-3-5-7-19/h3-10,12-14,21H,11,15H2,1-2H3