N-[2-(4-methylphenyl)sulfanylethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(p-tolylsulfanyl)ethyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(p-tolylthio)ethyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C19H24N2O3S3 MolecularWeight: 424.60046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H24N2O3S3/c1-15-4-6-17(7-5-15)25-14-10-20-19(22)16-8-11-21(12-9-16)27(23,24)18-3-2-13-26-18/h2-7,13,16H,8-12,14H2,1H3,(H,20,22)