(3-chloranyl-1-benzothiophen-2-yl)methyl 1-(phenylmethyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 1-(phenylmethyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 1-benzylsulfonylpiperidine-4-carboxylate CAS Name: 1-(phenylmethyl)sulfonyl-4-piperidinecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 1-benzylsulfonylpiperidine-4-carboxylate Traditional Name: 1-benzylsulfonylisonipecotic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C22H22ClNO4S2 MolecularWeight: 463.99738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=C(C3=CC=CC=C3S2)Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=C(C3=CC=CC=C3S2)Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClNO4S2/c23-21-18-8-4-5-9-19(18)29-20(21)14-28-22(25)17-10-12-24(13-11-17)30(26,27)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2