ethyl 5-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[3-(1,3-benzothiazol-2-yl)-1-piperidyl]sulfonyl]-1H-pyrazole-4-carboxylate CAS Name: 5-[[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]sulfonyl]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylate Traditional Name: 5-[3-(1,3-benzothiazol-2-yl)piperidino]sulfonyl-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C18H20N4O4S2 MolecularWeight: 420.5058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)S(=O)(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H20N4O4S2/c1-2-26-18(23)13-10-19-21-17(13)28(24,25)22-9-5-6-12(11-22)16-20-14-7-3-4-8-15(14)27-16/h3-4,7-8,10,12H,2,5-6,9,11H2,1H3,(H,19,21)