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

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C17H20ClNO4S2 MolecularWeight: 401.928

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C17H20ClNO4S2/c1-2-25(21,22)19-9-7-12(8-10-19)17(20)23-11-15-16(18)13-5-3-4-6-14(13)24-15/h3-6,12H,2,7-11H2,1H3