(4-methoxycarbonylphenyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-methoxycarbonylphenyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-methoxycarbonylphenyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (4-carbomethoxyphenyl) ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

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