N-(5-octyl-1,3,4-thiadiazol-2-yl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(5-octyl-1,3,4-thiadiazol-2-yl)-1-(3-pyridylsulfonyl)isonipecotamide Formula: C21H31N5O3S2 MolecularWeight: 465.63254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C21H31N5O3S2/c1-2-3-4-5-6-7-10-19-24-25-21(30-19)23-20(27)17-11-14-26(15-12-17)31(28,29)18-9-8-13-22-16-18/h8-9,13,16-17H,2-7,10-12,14-15H2,1H3,(H,23,25,27)