(2S)-1-[3-[(E)-N'-oxidanylcarbamimidoyl]phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]piperidine-2-carboxamide

Systemtic Name: (2S)-1-[3-[(E)-N'-oxidanylcarbamimidoyl]phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]piperidine-2-carboxamide Openeye Name: (2S)-1-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]piperidine-2-carboxamide CAS Name: (2S)-1-[3-[(E)-amino(hydroxyimino)methyl]phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]-2-piperidinecarboxamide IUPAC Name: (2S)-1-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]piperidine-2-carboxamide Traditional Name: (2S)-1-[3-[(E)-aminocarbohydroximoyl]phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]pipecolinamide Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4=CC=CC(=C4)C(=NO)N

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4=CC=CC(=C4)/C(=N\O)/N

InChI

InChI=1S/C25H27N5O4S/c26-24(29-32)18-6-5-7-20(16-18)30-15-4-3-9-22(30)25(31)28-19-13-11-17(12-14-19)21-8-1-2-10-23(21)35(27,33)34/h1-2,5-8,10-14,16,22,32H,3-4,9,15H2,(H2,26,29)(H,28,31)(H2,27,33,34)/t22-/m0/s1