3-[[(3S)-3-[[4-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide

Systemtic Name: 3-[[(3S)-3-[[4-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(3S)-3-[[4-(1-oxidopyridin-1-ium-4-yl)phenyl]sulfonylamino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[(3S)-3-[[4-(1-oxido-4-pyridin-1-iumyl)phenyl]sulfonylamino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(3S)-3-[[4-(1-oxidopyridin-1-ium-4-yl)phenyl]sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[(3S)-2-keto-3-[[4-(1-oxidopyridin-1-ium-4-yl)phenyl]sulfonylamino]pyrrolidino]methyl]benzamidine Formula: C23H23N5O4S MolecularWeight: 465.52482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)[O-])CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)[O-])CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C23H23N5O4S/c24-22(25)19-3-1-2-16(14-19)15-27-11-10-21(23(27)29)26-33(31,32)20-6-4-17(5-7-20)18-8-12-28(30)13-9-18/h1-9,12-14,21,26H,10-11,15H2,(H3,24,25)/t21-/m0/s1