3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-pyrazole-4-sulfonamide

Systemtic Name: 3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-pyrazole-4-sulfonamide Openeye Name: 3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-4-pyrazolesulfonamide IUPAC Name: 3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-sulfonamide Traditional Name: 3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methyl-pyrazole-4-sulfonamide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C(C)(C)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C(C)(C)C)C

InChI

InChI=1S/C17H22N4O3S2/c1-6-24-11-7-8-12-13(9-11)25-16(18-12)20-26(22,23)14-10-21(5)19-15(14)17(2,3)4/h7-10H,6H2,1-5H3,(H,18,20)