(2-methoxyphenyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (2-methoxyphenyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2-methoxyphenyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2-methoxyphenyl) ester Formula: C20H22ClNO5S MolecularWeight: 423.91038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H22ClNO5S/c1-26-17-8-4-5-9-18(17)27-20(23)15-10-11-16(21)19(14-15)28(24,25)22-12-6-2-3-7-13-22/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3