(3-chlorophenyl) 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (3-chlorophenyl) 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3-chlorophenyl) 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid (3-chlorophenyl) ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO4S/c20-16-8-6-9-17(14-16)25-19(22)15-7-5-10-18(13-15)26(23,24)21-11-3-1-2-4-12-21/h5-10,13-14H,1-4,11-12H2