2-(azepan-1-ylcarbonyl)-N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: 2-(azepan-1-ylcarbonyl)-N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: 2-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: 2-[1-azepanyl(oxo)methyl]-N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: 2-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: 2-(azepane-1-carbonyl)-N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCCCCC4

InChI

InChI=1S/C23H28N2O5S/c1-16-7-8-17(2)19(13-16)24-31(27,28)18-9-10-20-21(14-18)29-15-22(30-20)23(26)25-11-5-3-4-6-12-25/h7-10,13-14,22,24H,3-6,11-12,15H2,1-2H3