2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: 2-methyl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: 2-methyl-N-(4-pyrrolidinosulfonylphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H22N2O5S/c1-14-19(27-18-7-3-2-6-17(18)26-14)20(23)21-15-8-10-16(11-9-15)28(24,25)22-12-4-5-13-22/h2-3,6-11,14,19H,4-5,12-13H2,1H3,(H,21,23)