[4-(1,3-dithiolan-2-yl)phenyl] 3-piperidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-piperidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(1-piperidylsulfonyl)thiophene-2-carboxylate CAS Name: 3-(1-piperidinylsulfonyl)-2-thiophenecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-piperidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-piperidinosulfonylthiophene-2-carboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C19H21NO4S4 MolecularWeight: 455.63434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(SC=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C19H21NO4S4/c21-18(24-15-6-4-14(5-7-15)19-26-12-13-27-19)17-16(8-11-25-17)28(22,23)20-9-2-1-3-10-20/h4-8,11,19H,1-3,9-10,12-13H2