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

Systemtic Name: 2-(azepan-1-ylcarbonyl)-N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: 2-(azepane-1-carbonyl)-N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: 2-[1-azepanyl(oxo)methyl]-N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: 2-(azepane-1-carbonyl)-N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: 2-(azepane-1-carbonyl)-N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2COC3=C(O2)C=CC(=C3)S(=O)(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2COC3=C(O2)C=CC(=C3)S(=O)(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C21H23FN2O5S/c22-15-6-5-7-16(12-15)23-30(26,27)17-8-9-18-19(13-17)28-14-20(29-18)21(25)24-10-3-1-2-4-11-24/h5-9,12-13,20,23H,1-4,10-11,14H2