1,3-benzodioxol-5-yl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: 1,3-benzodioxol-5-yl 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid 1,3-benzodioxol-5-yl ester Formula: C20H21NO6S MolecularWeight: 403.44884

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21NO6S/c22-20(27-16-8-9-18-19(13-16)26-14-25-18)15-6-5-7-17(12-15)28(23,24)21-10-3-1-2-4-11-21/h5-9,12-13H,1-4,10-11,14H2