ethyl (3S)-1-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-(2-oxidanylidenepiperidin-1-yl)phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[4-(2-oxo-1-piperidyl)phenyl]sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-[4-(2-oxo-1-piperidinyl)phenyl]sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-(2-oxopiperidin-1-yl)phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-[4-(2-ketopiperidino)phenyl]sulfonylnipecotic acid ethyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCCC3=O

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCCC3=O

InChI

InChI=1S/C19H26N2O5S/c1-2-26-19(23)15-6-5-12-20(14-15)27(24,25)17-10-8-16(9-11-17)21-13-4-3-7-18(21)22/h8-11,15H,2-7,12-14H2,1H3/t15-/m0/s1