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

Systemtic Name: (4-cyano-2-methoxy-phenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-cyano-2-methoxy-phenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (4-cyano-2-methoxy-phenyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-27-20-14-16(15-22)6-11-19(20)28-21(24)17-7-9-18(10-8-17)29(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3