(2-cyanophenyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-cyanophenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-cyanophenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-cyanophenyl) ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C#N

InChI

InChI=1S/C20H20N2O4S/c21-15-17-7-3-4-8-19(17)26-20(23)16-9-11-18(12-10-16)27(24,25)22-13-5-1-2-6-14-22/h3-4,7-12H,1-2,5-6,13-14H2