1-(3-carbamimidoylphenyl)-N-[2-fluoranyl-4-(2-sulfamoylphenyl)phenyl]piperidine-2-carboxamide

Systemtic Name: 1-(3-carbamimidoylphenyl)-N-[2-fluoranyl-4-(2-sulfamoylphenyl)phenyl]piperidine-2-carboxamide Openeye Name: 1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]piperidine-2-carboxamide CAS Name: 1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-2-piperidinecarboxamide IUPAC Name: 1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]piperidine-2-carboxamide Traditional Name: 1-(3-amidinophenyl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]pipecolinamide Formula: C25H26FN5O3S MolecularWeight: 495.569043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)F)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CCN(C(C1)C(=O)NC2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)F)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H26FN5O3S/c26-20-15-16(19-8-1-2-10-23(19)35(29,33)34)11-12-21(20)30-25(32)22-9-3-4-13-31(22)18-7-5-6-17(14-18)24(27)28/h1-2,5-8,10-12,14-15,22H,3-4,9,13H2,(H3,27,28)(H,30,32)(H2,29,33,34)