3,3-dicyclopropyl-N'-(4-imidazol-1-ylphenyl)sulfonyl-2-[(2-oxidanyl-3-oxidanylidene-propyl)amino]propanimidamide

Systemtic Name: 3,3-dicyclopropyl-N'-(4-imidazol-1-ylphenyl)sulfonyl-2-[(2-oxidanyl-3-oxidanylidene-propyl)amino]propanimidamide Openeye Name: 3,3-dicyclopropyl-2-[(2-hydroxy-3-oxo-propyl)amino]-N'-(4-imidazol-1-ylphenyl)sulfonyl-propanamidine CAS Name: 3,3-dicyclopropyl-2-[(2-hydroxy-3-oxopropyl)amino]-N'-[4-(1-imidazolyl)phenyl]sulfonylpropanimidamide IUPAC Name: 3,3-dicyclopropyl-2-[(2-hydroxy-3-oxopropyl)amino]-N'-(4-imidazol-1-ylphenyl)sulfonylpropanimidamide Traditional Name: 3,3-dicyclopropyl-2-[(2-hydroxy-3-keto-propyl)amino]-N'-(4-imidazol-1-ylphenyl)sulfonyl-propionamidine Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C2CC2)C(C(=NS(=O)(=O)C3=CC=C(C=C3)N4C=CN=C4)N)NCC(C=O)O

Isomeric SMILES

C1CC1C(C2CC2)C(/C(=N\S(=O)(=O)C3=CC=C(C=C3)N4C=CN=C4)/N)NCC(C=O)O

InChI

InChI=1S/C21H27N5O4S/c22-21(20(24-11-17(28)12-27)19(14-1-2-14)15-3-4-15)25-31(29,30)18-7-5-16(6-8-18)26-10-9-23-13-26/h5-10,12-15,17,19-20,24,28H,1-4,11H2,(H2,22,25)