(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H24ClNO6S MolecularWeight: 465.94706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C22H24ClNO6S/c23-19-10-17-13-28-15-30-21(17)18(11-19)14-29-22(25)16-6-5-7-20(12-16)31(26,27)24-8-3-1-2-4-9-24/h5-7,10-12H,1-4,8-9,13-15H2