ethyl 4-methyl-2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]quinoline-3-carboxylate Traditional Name: 4-methyl-2-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]quinoline-3-carboxylic acid ethyl ester Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4)C

InChI

InChI=1S/C24H27N3O4S2/c1-3-31-24(28)23-17(2)19-9-5-6-10-20(19)26-21(23)16-32-22-12-11-18(15-25-22)33(29,30)27-13-7-4-8-14-27/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3