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

Systemtic Name: 3-[[4-(diethylamino)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Openeye Name: 3-[[4-(diethylamino)-6-oxo-cyclohexa-2,4-dien-1-ylidene]methylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide CAS Name: 3-[[4-(diethylamino)-6-oxo-1-cyclohexa-2,4-dienylidene]methylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide IUPAC Name: 3-[[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]methylamino]-N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)benzenesulfonamide Traditional Name: 3-[[4-(diethylamino)-6-keto-cyclohexa-2,4-dien-1-ylidene]methylamino]-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C21H27N4O3S+ MolecularWeight: 415.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-3-25(4-2)18-11-10-16(20(26)14-18)15-23-17-7-5-8-19(13-17)29(27,28)24-21-9-6-12-22-21/h5,7-8,10-11,13-15,23H,3-4,6,9,12H2,1-2H3,(H,22,24)/p+1