N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4R)-4-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4R)-4-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4R)-4-methyl-5-oxo-2-thioxo-imidazolidin-1-yl]benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4R)-4-methyl-5-oxo-2-sulfanylidene-1-imidazolidinyl]benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4R)-4-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzenesulfonamide Traditional Name: 3-[(4R)-5-keto-4-methyl-2-thioxo-imidazolidin-1-yl]-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C14H17N4O3S2+ MolecularWeight: 353.43978

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=S)N1)C2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

C[C@@H]1C(=O)N(C(=S)N1)C2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C14H16N4O3S2/c1-9-13(19)18(14(22)16-9)10-4-2-5-11(8-10)23(20,21)17-12-6-3-7-15-12/h2,4-5,8-9H,3,6-7H2,1H3,(H,15,17)(H,16,22)/p+1/t9-/m1/s1