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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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