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

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C16H18ClNO4S2 MolecularWeight: 387.90142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO4S2/c1-24(20,21)18-8-6-11(7-9-18)16(19)22-10-14-15(17)12-4-2-3-5-13(12)23-14/h2-5,11H,6-10H2,1H3