ethyl 1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylisonipecotic acid ethyl ester Formula: C17H20ClNO4S2 MolecularWeight: 401.928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

InChI

InChI=1S/C17H20ClNO4S2/c1-3-23-16(20)12-6-8-19(9-7-12)25(21,22)17-11(2)14-10-13(18)4-5-15(14)24-17/h4-5,10,12H,3,6-9H2,1-2H3