N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-thiophen-2-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-(2-thienylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-1-thiophen-2-ylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-1-(2-thienylsulfonyl)isonipecotamide Formula: C21H31N5O3S3 MolecularWeight: 497.69754

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H31N5O3S3/c1-30-21-24-23-18(26(21)17-6-2-3-7-17)8-4-12-22-20(27)16-10-13-25(14-11-16)32(28,29)19-9-5-15-31-19/h5,9,15-17H,2-4,6-8,10-14H2,1H3,(H,22,27)