(2-chloranyl-5-methyl-phenyl) 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (2-chloro-5-methyl-phenyl) 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (2-chloro-5-methyl-phenyl) ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H22ClNO4S/c1-15-6-11-18(21)19(14-15)26-20(23)16-7-9-17(10-8-16)27(24,25)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13H2,1H3