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

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(3-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(3-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(3-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzenesulfonamide Traditional Name: 3-[(6-keto-3-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(=CNC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C(=O)C=C1

Isomeric SMILES

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

InChI

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