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

Systemtic Name: 3-[[(3S)-3-[[4-(1-methylpyridin-1-ium-4-yl)phenyl]sulfonylamino]-2-oxidanylidene-pyrrolidin-1-yl]methyl]benzenecarboximidamide Openeye Name: 3-[[(3S)-3-[[4-(1-methylpyridin-1-ium-4-yl)phenyl]sulfonylamino]-2-oxo-pyrrolidin-1-yl]methyl]benzamidine CAS Name: 3-[[(3S)-3-[[4-(1-methyl-4-pyridin-1-iumyl)phenyl]sulfonylamino]-2-oxo-1-pyrrolidinyl]methyl]benzenecarboximidamide IUPAC Name: 3-[[(3S)-3-[[4-(1-methylpyridin-1-ium-4-yl)phenyl]sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide Traditional Name: 3-[[(3S)-2-keto-3-[[4-(1-methylpyridin-1-ium-4-yl)phenyl]sulfonylamino]pyrrolidino]methyl]benzamidine Formula: C24H26N5O3S+ MolecularWeight: 464.55994

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC3CCN(C3=O)CC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)N[C@H]3CCN(C3=O)CC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C24H26N5O3S/c1-28-12-9-19(10-13-28)18-5-7-21(8-6-18)33(31,32)27-22-11-14-29(24(22)30)16-17-3-2-4-20(15-17)23(25)26/h2-10,12-13,15,22,27H,11,14,16H2,1H3,(H3,25,26)/q+1/t22-/m0/s1