(4-cyanophenyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-cyanophenyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-cyanophenyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (4-cyanophenyl) ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c21-15-16-8-10-18(11-9-16)26-20(23)17-6-5-7-19(14-17)27(24,25)22-12-3-1-2-4-13-22/h5-11,14H,1-4,12-13H2