methyl 3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[3-[ethyl(4-pyridylmethyl)amino]-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[3-[ethyl(pyridin-4-ylmethyl)amino]-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[3-[ethyl(4-pyridylmethyl)amino]piperidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCN(CC1=CC=NC=C1)C2CCCN(C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C19H25N3O4S2/c1-3-21(13-15-6-9-20-10-7-15)16-5-4-11-22(14-16)28(24,25)17-8-12-27-18(17)19(23)26-2/h6-10,12,16H,3-5,11,13-14H2,1-2H3