N-(3,5-dimethylphenyl)-2-pyrrolidin-1-ylcarbonyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-pyrrolidin-1-ylcarbonyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-(3,5-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-(3,5-dimethylphenyl)-2-[oxo(1-pyrrolidinyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-(3,5-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-(3,5-dimethylphenyl)-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC(CO3)C(=O)N4CCCC4)C

InChI

InChI=1S/C21H24N2O5S/c1-14-9-15(2)11-16(10-14)22-29(25,26)17-5-6-18-19(12-17)27-13-20(28-18)21(24)23-7-3-4-8-23/h5-6,9-12,20,22H,3-4,7-8,13H2,1-2H3