N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,5-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-2,5-difluoro-benzenesulfonamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-2,5-difluorobenzenesulfonamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2,5-difluorobenzenesulfonamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-2,5-difluoro-benzenesulfonamide Formula: C18H20F2N2O5S2 MolecularWeight: 446.488606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)F)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)F)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20F2N2O5S2/c1-2-27-16-8-6-14(12-18(16)29(25,26)22-9-3-4-10-22)21-28(23,24)17-11-13(19)5-7-15(17)20/h5-8,11-12,21H,2-4,9-10H2,1H3