1,3-benzodioxol-5-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid piperonyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23NO6S/c23-21(26-14-16-5-10-19-20(13-16)28-15-27-19)17-6-8-18(9-7-17)29(24,25)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12,14-15H2