7-chloranyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: 7-chloranyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzodioxole-5-carboxamide Openeye Name: 7-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: 7-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide Traditional Name: 7-chloro-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-piperonylamide Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C(=C2)Cl)OCO3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H21ClN2O6S/c1-2-27-16-6-5-14(11-18(16)30(25,26)23-7-3-4-8-23)22-20(24)13-9-15(21)19-17(10-13)28-12-29-19/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,22,24)