5-(azepan-1-ylcarbonyl)-2-chloranyl-N-(4-ethoxyphenyl)benzenesulfonamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-2-chloranyl-N-(4-ethoxyphenyl)benzenesulfonamide Openeye Name: 5-(azepane-1-carbonyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide CAS Name: 5-[1-azepanyl(oxo)methyl]-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide IUPAC Name: 5-(azepane-1-carbonyl)-2-chloro-N-(4-ethoxyphenyl)benzenesulfonamide Traditional Name: 5-(azepane-1-carbonyl)-2-chloro-N-p-phenetyl-benzenesulfonamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCCCC3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-2-28-18-10-8-17(9-11-18)23-29(26,27)20-15-16(7-12-19(20)22)21(25)24-13-5-3-4-6-14-24/h7-12,15,23H,2-6,13-14H2,1H3