5-(azepan-1-ylcarbonyl)-2-chloranyl-N-(2,3-dimethylphenyl)benzenesulfonamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-2-chloranyl-N-(2,3-dimethylphenyl)benzenesulfonamide Openeye Name: 5-(azepane-1-carbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide CAS Name: 5-[1-azepanyl(oxo)methyl]-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide IUPAC Name: 5-(azepane-1-carbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide Traditional Name: 5-(azepane-1-carbonyl)-2-chloro-N-(2,3-dimethylphenyl)benzenesulfonamide Formula: C21H25ClN2O3S MolecularWeight: 420.9528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCCCC3)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCCCC3)Cl)C

InChI

InChI=1S/C21H25ClN2O3S/c1-15-8-7-9-19(16(15)2)23-28(26,27)20-14-17(10-11-18(20)22)21(25)24-12-5-3-4-6-13-24/h7-11,14,23H,3-6,12-13H2,1-2H3