2-(azepan-1-ylcarbonyl)-N-(3-chloranyl-4-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: 2-(azepan-1-ylcarbonyl)-N-(3-chloranyl-4-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: 2-(azepane-1-carbonyl)-N-(3-chloro-4-methyl-phenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: 2-[1-azepanyl(oxo)methyl]-N-(3-chloro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: 2-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: 2-(azepane-1-carbonyl)-N-(3-chloro-4-methyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C22H25ClN2O5S/c1-15-6-7-16(12-18(15)23)24-31(27,28)17-8-9-19-20(13-17)29-14-21(30-19)22(26)25-10-4-2-3-5-11-25/h6-9,12-13,21,24H,2-5,10-11,14H2,1H3