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

Systemtic Name: 1,3-benzodioxol-5-yl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(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=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

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

InChI

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