ethyl (3S)-1-isoquinolin-5-ylsulfonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-isoquinolin-5-ylsulfonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(5-isoquinolylsulfonyl)piperidine-3-carboxylate CAS Name: (3S)-1-(5-isoquinolinylsulfonyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-isoquinolin-5-ylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(5-isoquinolylsulfonyl)nipecotic acid ethyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C17H20N2O4S/c1-2-23-17(20)14-6-4-10-19(12-14)24(21,22)16-7-3-5-13-11-18-9-8-15(13)16/h3,5,7-9,11,14H,2,4,6,10,12H2,1H3/t14-/m0/s1