2-(3-carbamimidoylphenoxy)-N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]pentanamide

Systemtic Name: 2-(3-carbamimidoylphenoxy)-N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]pentanamide Openeye Name: 2-(3-carbamimidoylphenoxy)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pentanamide CAS Name: 2-(3-carbamimidoylphenoxy)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pentanamide IUPAC Name: 2-(3-carbamimidoylphenoxy)-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]pentanamide Traditional Name: 2-(3-amidinophenoxy)-N-[2-fluoro-4-(2-mesylphenyl)phenyl]valeramide Formula: C25H26FN3O4S MolecularWeight: 483.555043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)F)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCCC(C(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)F)OC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C25H26FN3O4S/c1-3-7-22(33-18-9-6-8-17(14-18)24(27)28)25(30)29-21-13-12-16(15-20(21)26)19-10-4-5-11-23(19)34(2,31)32/h4-6,8-15,22H,3,7H2,1-2H3,(H3,27,28)(H,29,30)