N,N-diethyl-4-[2-phenylazanyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-3-ium-4-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-phenylazanyl-3-(pyridin-3-ylmethyl)-1,3-thiazol-3-ium-4-yl]benzenesulfonamide Openeye Name: 4-[2-anilino-3-(3-pyridylmethyl)thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-anilino-3-(3-pyridinylmethyl)-4-thiazol-3-iumyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-anilino-3-(pyridin-3-ylmethyl)-1,3-thiazol-3-ium-4-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-anilino-3-(3-pyridylmethyl)thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide Formula: C25H27N4O2S2+ MolecularWeight: 479.63748

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CN=CC=C3)NC4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CC3=CN=CC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2S2/c1-3-28(4-2)33(30,31)23-14-12-21(13-15-23)24-19-32-25(27-22-10-6-5-7-11-22)29(24)18-20-9-8-16-26-17-20/h5-17,19H,3-4,18H2,1-2H3/p+1