2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC4=C(C=C3Br)OCCO4)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC4=C(C=C3Br)OCCO4)C(=O)N

InChI

InChI=1S/C20H21BrN2O6S/c21-16-11-19-18(27-7-8-28-19)9-13(16)12-29-17-4-3-14(10-15(17)20(22)24)30(25,26)23-5-1-2-6-23/h3-4,9-11H,1-2,5-8,12H2,(H2,22,24)