2-[(7-chloranyl-1,3-benzodioxol-5-yl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C19H19ClN2O6S MolecularWeight: 438.88196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC4=C(C(=C3)Cl)OCO4)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC4=C(C(=C3)Cl)OCO4)C(=O)N

InChI

InChI=1S/C19H19ClN2O6S/c20-15-7-12(8-17-18(15)28-11-27-17)10-26-16-4-3-13(9-14(16)19(21)23)29(24,25)22-5-1-2-6-22/h3-4,7-9H,1-2,5-6,10-11H2,(H2,21,23)