4-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-pyridin-1-ium-2-yl-benzenesulfonamide

Systemtic Name: 4-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-pyridin-1-ium-2-yl-benzenesulfonamide Openeye Name: 4-[(4-isobutoxyphenyl)methyleneamino]-N-pyridin-1-ium-2-yl-benzenesulfonamide CAS Name: 4-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-(2-pyridin-1-iumyl)benzenesulfonamide IUPAC Name: 4-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-pyridin-1-ium-2-ylbenzenesulfonamide Traditional Name: 4-[(4-isobutoxybenzylidene)amino]-N-pyridin-1-ium-2-yl-benzenesulfonamide Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C22H23N3O3S/c1-17(2)16-28-20-10-6-18(7-11-20)15-24-19-8-12-21(13-9-19)29(26,27)25-22-5-3-4-14-23-22/h3-15,17H,16H2,1-2H3,(H,23,25)/p+1