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

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-chloro-4-cyano-phenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-chloro-4-cyano-phenyl) ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H19ClN2O4S/c21-18-13-15(14-22)5-10-19(18)27-20(24)16-6-8-17(9-7-16)28(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12H2