(3-chloranyl-1-benzothiophen-2-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C21H20ClNO4S2 MolecularWeight: 449.9708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClNO4S2/c22-20-17-8-4-5-9-18(17)28-19(20)14-27-21(24)15-10-12-23(13-11-15)29(25,26)16-6-2-1-3-7-16/h1-9,15H,10-14H2