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

Systemtic Name: 2-bromanyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-bromo-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-pyrrolidinosulfonyl-benzamide Formula: C21H23BrN2O5S MolecularWeight: 495.38672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NCCC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)NCCC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23BrN2O5S/c22-18-5-4-16(30(26,27)24-9-1-2-10-24)14-17(18)21(25)23-8-7-15-3-6-19-20(13-15)29-12-11-28-19/h3-6,13-14H,1-2,7-12H2,(H,23,25)