N-(6-ethyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(3-pyridylsulfonyl)isonipecotamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H22N4O3S2/c1-2-14-5-6-17-18(12-14)28-20(22-17)23-19(25)15-7-10-24(11-8-15)29(26,27)16-4-3-9-21-13-16/h3-6,9,12-13,15H,2,7-8,10-11H2,1H3,(H,22,23,25)