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

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenyl-3-thiophen-2-yl-pyrazole-4-sulfonamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenyl-3-(2-thienyl)pyrazole-4-sulfonamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenyl-3-thiophen-2-yl-4-pyrazolesulfonamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-sulfonamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenyl-3-(2-thienyl)pyrazole-4-sulfonamide Formula: C22H18N4O3S3 MolecularWeight: 482.59832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O3S3/c1-2-29-16-10-11-17-19(13-16)31-22(23-17)25-32(27,28)20-14-26(15-7-4-3-5-8-15)24-21(20)18-9-6-12-30-18/h3-14H,2H2,1H3,(H,23,25)