ethanoyl fluoride; 4-[5-(3-ethoxy-4-propan-2-yloxy-phenyl)-4-oxidanylidene-3-(phenylsulfonyl)imidazolidin-1-yl]benzenecarboximidamide

Systemtic Name: ethanoyl fluoride; 4-[5-(3-ethoxy-4-propan-2-yloxy-phenyl)-4-oxidanylidene-3-(phenylsulfonyl)imidazolidin-1-yl]benzenecarboximidamide Openeye Name: acetyl fluoride; 4-[3-(benzenesulfonyl)-5-(3-ethoxy-4-isopropoxy-phenyl)-4-oxo-imidazolidin-1-yl]benzamidine CAS Name: acetyl fluoride; 4-[3-(benzenesulfonyl)-5-(3-ethoxy-4-propan-2-yloxyphenyl)-4-oxo-1-imidazolidinyl]benzenecarboximidamide IUPAC Name: acetyl fluoride; 4-[3-(benzenesulfonyl)-5-(3-ethoxy-4-propan-2-yloxyphenyl)-4-oxoimidazolidin-1-yl]benzenecarboximidamide Traditional Name: acetyl fluoride; 4-[3-besyl-5-(3-ethoxy-4-isopropoxy-phenyl)-4-keto-imidazolidin-1-yl]benzamidine Formula: C33H39F3N4O8S MolecularWeight: 708.74497

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=O)N(CN2C3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC=C4)OC(C)C.CC(=O)F.CC(=O)F.CC(=O)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=O)N(CN2C3=CC=C(C=C3)C(=N)N)S(=O)(=O)C4=CC=CC=C4)OC(C)C.CC(=O)F.CC(=O)F.CC(=O)F

InChI

InChI=1S/C27H30N4O5S.3C2H3FO/c1-4-35-24-16-20(12-15-23(24)36-18(2)3)25-27(32)31(37(33,34)22-8-6-5-7-9-22)17-30(25)21-13-10-19(11-14-21)26(28)29;3*1-2(3)4/h5-16,18,25H,4,17H2,1-3H3,(H3,28,29);3*1H3