methyl 3-[(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]sulfonylthiophene-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2CCCN(C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CN(CCC1=CC=CC=N1)[C@H]2CCCN(C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C19H25N3O4S2/c1-21(12-8-15-6-3-4-10-20-15)16-7-5-11-22(14-16)28(24,25)17-9-13-27-18(17)19(23)26-2/h3-4,6,9-10,13,16H,5,7-8,11-12,14H2,1-2H3/t16-/m0/s1