ethyl 6-[4-[[2-methylsulfinyl-3-(2-oxidanylpropoxy)phenyl]amino]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[[2-methylsulfinyl-3-(2-oxidanylpropoxy)phenyl]amino]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-[3-(2-hydroxypropoxy)-2-methylsulfinyl-anilino]-1-piperidyl]pyridine-3-carboxylate CAS Name: 6-[4-[3-(2-hydroxypropoxy)-2-methylsulfinylanilino]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[3-(2-hydroxypropoxy)-2-methylsulfinylanilino]piperidin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-[3-(2-hydroxypropoxy)-2-methylsulfinyl-anilino]piperidino]nicotinic acid ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCC(CC2)NC3=C(C(=CC=C3)OCC(C)O)S(=O)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCC(CC2)NC3=C(C(=CC=C3)OCC(C)O)S(=O)C

InChI

InChI=1S/C23H31N3O5S/c1-4-30-23(28)17-8-9-21(24-14-17)26-12-10-18(11-13-26)25-19-6-5-7-20(22(19)32(3)29)31-15-16(2)27/h5-9,14,16,18,25,27H,4,10-13,15H2,1-3H3