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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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