N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(4-methylsulfanylphenyl)thiazol-2-yl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: 1-methylsulfonyl-N-[4-[4-(methylthio)phenyl]-2-thiazolyl]-3-piperidinecarboxamide IUPAC Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: 1-mesyl-N-[4-[4-(methylthio)phenyl]thiazol-2-yl]nipecotamide Formula: C17H21N3O3S3 MolecularWeight: 411.56194

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C17H21N3O3S3/c1-24-14-7-5-12(6-8-14)15-11-25-17(18-15)19-16(21)13-4-3-9-20(10-13)26(2,22)23/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,18,19,21)