(4-cyano-2-methoxy-phenyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (4-cyano-2-methoxy-phenyl) 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (4-cyano-2-methoxy-phenyl) ester Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H21ClN2O5S/c1-28-19-12-15(14-23)6-9-18(19)29-21(25)16-7-8-17(22)20(13-16)30(26,27)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11H2,1H3