[2,6-bis(chloranyl)phenyl]methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2,6-bis(chloranyl)phenyl]methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2,6-dichlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2,6-dichlorophenyl)methyl ester IUPAC Name: (2,6-dichlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2,6-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=C(C=CC=C3Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=C(C=CC=C3Cl)Cl

InChI

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