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

Systemtic Name: 3-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-sulfonamide Openeye Name: 3-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-4-pyrazolesulfonamide IUPAC Name: 3-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazole-4-sulfonamide Traditional Name: 3-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-pyrazole-4-sulfonamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S/c1-21(2,3)20-19(14-24(22-20)16-7-5-4-6-8-16)29(25,26)23-15-9-10-17-18(13-15)28-12-11-27-17/h4-10,13-14,23H,11-12H2,1-3H3