N-[3-(4-tert-butylphenyl)carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-(4-tert-butylphenyl)carbonylphenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-[(4-tert-butylphenyl)-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-(4-tert-butylbenzoyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H25NO5S/c1-25(2,3)19-9-7-17(8-10-19)24(27)18-5-4-6-20(15-18)26-32(28,29)21-11-12-22-23(16-21)31-14-13-30-22/h4-12,15-16,26H,13-14H2,1-3H3