N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(5-methylthiophen-2-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxamide CAS Name: N-[2-[(2-fluorophenyl)methylthio]ethyl]-1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[(2-fluorobenzyl)thio]ethyl]-1-[(5-methyl-2-thienyl)sulfonyl]nipecotamide Formula: C20H25FN2O3S3 MolecularWeight: 456.617503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCCSCC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)NCCSCC3=CC=CC=C3F

InChI

InChI=1S/C20H25FN2O3S3/c1-15-8-9-19(28-15)29(25,26)23-11-4-6-16(13-23)20(24)22-10-12-27-14-17-5-2-3-7-18(17)21/h2-3,5,7-9,16H,4,6,10-14H2,1H3,(H,22,24)