2-(azepan-1-ylcarbonyl)-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: 2-(azepan-1-ylcarbonyl)-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: 2-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: 2-[1-azepanyl(oxo)methyl]-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: 2-(azepane-1-carbonyl)-N-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: 2-(azepane-1-carbonyl)-N-(2-chlorobenzyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2COC3=C(O2)C=CC(=C3)S(=O)(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2COC3=C(O2)C=CC(=C3)S(=O)(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C22H25ClN2O5S/c23-18-8-4-3-7-16(18)14-24-31(27,28)17-9-10-19-20(13-17)29-15-21(30-19)22(26)25-11-5-1-2-6-12-25/h3-4,7-10,13,21,24H,1-2,5-6,11-12,14-15H2