N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzenesulfonamide Traditional Name: 3-[(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C18H20N3O4S+ MolecularWeight: 374.4341

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=CNC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C1=O

Isomeric SMILES

COC1=CC=CC(=CNC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C1=O

InChI

InChI=1S/C18H19N3O4S/c1-25-16-8-2-5-13(18(16)22)12-20-14-6-3-7-15(11-14)26(23,24)21-17-9-4-10-19-17/h2-3,5-8,11-12,20H,4,9-10H2,1H3,(H,19,21)/p+1