1-(2,4-dimethylphenyl)sulfonyl-N-[2-(hydroxymethyl)-3-thiophen-3-yl-propyl]piperidine-4-carboxamide

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(hydroxymethyl)-3-thiophen-3-yl-propyl]piperidine-4-carboxamide Openeye Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(hydroxymethyl)-3-(3-thienyl)propyl]piperidine-4-carboxamide CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(hydroxymethyl)-3-(3-thiophenyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]piperidine-4-carboxamide Traditional Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[2-methylol-3-(3-thienyl)propyl]isonipecotamide Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(CC3=CSC=C3)CO)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC(CC3=CSC=C3)CO)C

InChI

InChI=1S/C22H30N2O4S2/c1-16-3-4-21(17(2)11-16)30(27,28)24-8-5-20(6-9-24)22(26)23-13-19(14-25)12-18-7-10-29-15-18/h3-4,7,10-11,15,19-20,25H,5-6,8-9,12-14H2,1-2H3,(H,23,26)