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

Systemtic Name: N,N-diethyl-4-[2-phenylazanyl-3-(phenylmethyl)-1,3-thiazol-3-ium-4-yl]benzenesulfonamide Openeye Name: 4-(2-anilino-3-benzyl-thiazol-3-ium-4-yl)-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-anilino-3-(phenylmethyl)-4-thiazol-3-iumyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-(2-anilino-3-benzyl-1,3-thiazol-3-ium-4-yl)-N,N-diethylbenzenesulfonamide Traditional Name: 4-(2-anilino-3-benzyl-thiazol-3-ium-4-yl)-N,N-diethyl-benzenesulfonamide Formula: C26H28N3O2S2+ MolecularWeight: 478.64942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2S2/c1-3-28(4-2)33(30,31)24-17-15-22(16-18-24)25-20-32-26(27-23-13-9-6-10-14-23)29(25)19-21-11-7-5-8-12-21/h5-18,20H,3-4,19H2,1-2H3/p+1