(2-chlorophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: (2-chlorophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: (2-chlorophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid (2-chlorobenzyl) ester Formula: C20H21Cl2NO4S MolecularWeight: 442.35604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21Cl2NO4S/c21-17-8-4-3-7-16(17)14-27-20(24)15-9-10-18(22)19(13-15)28(25,26)23-11-5-1-2-6-12-23/h3-4,7-10,13H,1-2,5-6,11-12,14H2