N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]piperidine-4-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-[2-(2-thienyl)-2-tosyl-ethyl]isonipecotamide Formula: C20H26N2O5S3 MolecularWeight: 470.62584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S3/c1-15-5-7-17(8-6-15)30(26,27)19(18-4-3-13-28-18)14-21-20(23)16-9-11-22(12-10-16)29(2,24)25/h3-8,13,16,19H,9-12,14H2,1-2H3,(H,21,23)