3-[4-(4-fluoranylphenoxy)-3-nitro-phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: 3-[4-(4-fluoranylphenoxy)-3-nitro-phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Openeye Name: 3-[4-(4-fluorophenoxy)-3-nitro-phenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one CAS Name: 3-[4-(4-fluorophenoxy)-3-nitrophenyl]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-propen-1-one IUPAC Name: 3-[4-(4-fluorophenoxy)-3-nitrophenyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one Traditional Name: 3-[4-(4-fluorophenoxy)-3-nitro-phenyl]-1-(4-pyrrolidinosulfonylphenyl)prop-2-en-1-one Formula: C25H21FN2O6S MolecularWeight: 496.507443

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)OC4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)OC4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C25H21FN2O6S/c26-20-7-9-21(10-8-20)34-25-14-4-18(17-23(25)28(30)31)3-13-24(29)19-5-11-22(12-6-19)35(32,33)27-15-1-2-16-27/h3-14,17H,1-2,15-16H2