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

Systemtic Name: 3-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Openeye Name: 3-[(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide CAS Name: 3-[(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide IUPAC Name: 3-[(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Traditional Name: 3-[(3-chloro-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C17H17ClN3O3S+ MolecularWeight: 378.85318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC=C3C=C(C=CC3=O)Cl

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC=C3C=C(C=CC3=O)Cl

InChI

InChI=1S/C17H16ClN3O3S/c18-13-6-7-16(22)12(9-13)11-20-14-3-1-4-15(10-14)25(23,24)21-17-5-2-8-19-17/h1,3-4,6-7,9-11,20H,2,5,8H2,(H,19,21)/p+1