N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide Openeye Name: 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-thienyl)pyrazole-4-sulfonamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-thiophen-2-ylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-thienyl)pyrazole-4-sulfonamide Formula: C23H20N4O3S3 MolecularWeight: 496.6249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C23H20N4O3S3/c1-2-30-17-10-11-18-20(13-17)32-23(24-18)26-33(28,29)21-15-27(14-16-7-4-3-5-8-16)25-22(21)19-9-6-12-31-19/h3-13,15H,2,14H2,1H3,(H,24,26)