(3-acetamidophenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (3-acetamidophenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (3-acetamidophenyl) 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (3-acetamidophenyl) ester IUPAC Name: (3-acetamidophenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (3-acetamidophenyl) ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N2O5S2/c1-13(21)19-15-4-2-5-16(12-15)25-18(22)14-7-9-20(10-8-14)27(23,24)17-6-3-11-26-17/h2-6,11-12,14H,7-10H2,1H3,(H,19,21)