N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]benzenesulfonamide Traditional Name: 3-[(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C18H21N4O4S+ MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C1=O)CO

InChI

InChI=1S/C18H20N4O4S/c1-12-18(24)16(13(11-23)9-20-12)10-21-14-4-2-5-15(8-14)27(25,26)22-17-6-3-7-19-17/h2,4-5,8-10,21,23H,3,6-7,11H2,1H3,(H,19,22)/p+1