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

Systemtic Name: (4-methoxycarbonylphenyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (4-methoxycarbonylphenyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (4-carbomethoxyphenyl) ester Formula: C21H22ClNO6S MolecularWeight: 451.92048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO6S/c1-28-20(24)15-6-9-17(10-7-15)29-21(25)16-8-11-18(22)19(14-16)30(26,27)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3