N-(1,3-benzodioxol-5-yl)-4-bromanyl-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-bromanyl-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-bromo-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-bromo-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-bromo-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-bromo-3-pyrrolidinosulfonyl-benzamide Formula: C18H17BrN2O5S MolecularWeight: 453.30698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C18H17BrN2O5S/c19-14-5-3-12(9-17(14)27(23,24)21-7-1-2-8-21)18(22)20-13-4-6-15-16(10-13)26-11-25-15/h3-6,9-10H,1-2,7-8,11H2,(H,20,22)