N-[2-(4-methyl-5-oxidanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methyl-5-oxidanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[4-methyl-5-oxo-3-(2-thienyl)-1,2,4-triazol-1-yl]ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[5-keto-4-methyl-3-(2-thienyl)-1,2,4-triazol-1-yl]ethyl]-1-mesyl-isonipecotamide Formula: C16H23N5O4S2 MolecularWeight: 413.51492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C)C3=CC=CS3

Isomeric SMILES

CN1C(=NN(C1=O)CCNC(=O)C2CCN(CC2)S(=O)(=O)C)C3=CC=CS3

InChI

InChI=1S/C16H23N5O4S2/c1-19-14(13-4-3-11-26-13)18-21(16(19)23)10-7-17-15(22)12-5-8-20(9-6-12)27(2,24)25/h3-4,11-12H,5-10H2,1-2H3,(H,17,22)