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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H23NO6S/c1-15-6-7-16(12-20(15)29(24,25)22-10-4-2-3-5-11-22)21(23)28-17-8-9-18-19(13-17)27-14-26-18/h6-9,12-13H,2-5,10-11,14H2,1H3