3-[(E)-3-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-ethylsulfonyl-amino]prop-1-enyl]-4-fluoranyl-benzenecarboximidamide

Systemtic Name: 3-[(E)-3-[[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-ethylsulfonyl-amino]prop-1-enyl]-4-fluoranyl-benzenecarboximidamide Openeye Name: 3-[(E)-3-[4-[(1-ethanimidoyl-4-piperidyl)oxy]-N-ethylsulfonyl-anilino]prop-1-enyl]-4-fluoro-benzamidine CAS Name: 3-[(E)-3-[N-ethylsulfonyl-4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]anilino]prop-1-enyl]-4-fluorobenzenecarboximidamide IUPAC Name: 3-[(E)-3-[4-(1-ethanimidoylpiperidin-4-yl)oxy-N-ethylsulfonylanilino]prop-1-enyl]-4-fluorobenzenecarboximidamide Traditional Name: 3-[(E)-3-[4-[(1-acetimidoyl-4-piperidyl)oxy]-N-esyl-anilino]prop-1-enyl]-4-fluoro-benzamidine Formula: C25H32FN5O3S MolecularWeight: 501.616683

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(CC=CC1=C(C=CC(=C1)C(=N)N)F)C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C

Isomeric SMILES

CCS(=O)(=O)N(C/C=C/C1=C(C=CC(=C1)C(=N)N)F)C2=CC=C(C=C2)OC3CCN(CC3)C(=N)C

InChI

InChI=1S/C25H32FN5O3S/c1-3-35(32,33)31(14-4-5-19-17-20(25(28)29)6-11-24(19)26)21-7-9-22(10-8-21)34-23-12-15-30(16-13-23)18(2)27/h4-11,17,23,27H,3,12-16H2,1-2H3,(H3,28,29)/b5-4+,27-18?