(3,4-dichlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (3,4-dichlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (3,4-dichlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (3,4-dichlorobenzyl) ester Formula: C20H21Cl2NO4S MolecularWeight: 442.35604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H21Cl2NO4S/c21-18-10-5-15(13-19(18)22)14-27-20(24)16-6-8-17(9-7-16)28(25,26)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,14H2