(3-chloranyl-1-benzothiophen-2-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C20H19ClN2O4S2 MolecularWeight: 450.95886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C(C3=CC=CC=C3S2)Cl)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C(C3=CC=CC=C3S2)Cl)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H19ClN2O4S2/c21-19-16-5-1-2-6-17(16)28-18(19)13-27-20(24)14-7-10-23(11-8-14)29(25,26)15-4-3-9-22-12-15/h1-6,9,12,14H,7-8,10-11,13H2