(4-ethanoylphenyl) (3S)-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate

Systemtic Name: (4-ethanoylphenyl) (3S)-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Openeye Name: (4-acetylphenyl) (3S)-1-(2-thienylsulfonyl)piperidine-3-carboxylate CAS Name: (3S)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (3S)-1-thiophen-2-ylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(2-thienylsulfonyl)nipecotic acid (4-acetylphenyl) ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H19NO5S2/c1-13(20)14-6-8-16(9-7-14)24-18(21)15-4-2-10-19(12-15)26(22,23)17-5-3-11-25-17/h3,5-9,11,15H,2,4,10,12H2,1H3/t15-/m0/s1