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

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(6-oxidanylidene-4-propoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(6-oxo-4-propoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(6-oxo-4-propoxy-1-cyclohexa-2,4-dienylidene)methylamino]benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(6-oxo-4-propoxycyclohexa-2,4-dien-1-ylidene)methylamino]benzenesulfonamide Traditional Name: 3-[(6-keto-4-propoxy-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)C=C1

InChI

InChI=1S/C20H23N3O4S/c1-2-11-27-17-9-8-15(19(24)13-17)14-22-16-5-3-6-18(12-16)28(25,26)23-20-7-4-10-21-20/h3,5-6,8-9,12-14,22H,2,4,7,10-11H2,1H3,(H,21,23)/p+1