(2-chloranyl-4-cyano-phenyl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate Openeye Name: (2-chloro-4-cyano-phenyl) 1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxylate CAS Name: 1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxylic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-[(5-methyl-2-thienyl)sulfonyl]nipecotic acid (2-chloro-4-cyano-phenyl) ester Formula: C18H17ClN2O4S2 MolecularWeight: 424.92158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)OC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)OC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H17ClN2O4S2/c1-12-4-7-17(26-12)27(23,24)21-8-2-3-14(11-21)18(22)25-16-6-5-13(10-20)9-15(16)19/h4-7,9,14H,2-3,8,11H2,1H3