5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Openeye Name: 5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide CAS Name: 5-(6-methoxy-1,3-benzothiazol-2-yl)-2-(1-pyrazolyl)-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: 5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Traditional Name: 5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyrazol-1-yl-3-(trifluoromethyl)benzenesulfonamide Formula: C18H13F3N4O3S2 MolecularWeight: 454.44603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C(=C3)S(=O)(=O)N)N4C=CC=N4)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C(=C3)S(=O)(=O)N)N4C=CC=N4)C(F)(F)F

InChI

InChI=1S/C18H13F3N4O3S2/c1-28-11-3-4-13-14(9-11)29-17(24-13)10-7-12(18(19,20)21)16(25-6-2-5-23-25)15(8-10)30(22,26)27/h2-9H,1H3,(H2,22,26,27)