N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C18H19F3N2O5S2 MolecularWeight: 464.47907

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(F)(F)F

Isomeric SMILES

COC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C(F)(F)F

InChI

InChI=1S/C18H19F3N2O5S2/c1-28-13-4-9-17(16(12-13)18(19,20)21)22-29(24,25)14-5-7-15(8-6-14)30(26,27)23-10-2-3-11-23/h4-9,12,22H,2-3,10-11H2,1H3