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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenyl-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenyl-pyrazole-4-sulfonamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenyl-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenyl-pyrazole-4-sulfonamide Formula: C25H22N4O3S2 MolecularWeight: 490.59718

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=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H22N4O3S2/c1-2-32-20-13-14-21-22(15-20)33-25(26-21)28-34(30,31)23-17-29(16-18-9-5-3-6-10-18)27-24(23)19-11-7-4-8-12-19/h3-15,17H,2,16H2,1H3,(H,26,28)