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

Systemtic Name: 3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-sulfonamide Openeye Name: 3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenyl-4-pyrazolesulfonamide IUPAC Name: 3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylpyrazole-4-sulfonamide Traditional Name: 3-tert-butyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-4-sulfonamide Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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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)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CN(N=C3C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S2/c1-5-29-16-11-12-17-18(13-16)30-21(23-17)25-31(27,28)19-14-26(15-9-7-6-8-10-15)24-20(19)22(2,3)4/h6-14H,5H2,1-4H3,(H,23,25)