N,N-diethyl-4-(2-phenylazanyl-3-propyl-1,3-thiazol-3-ium-4-yl)benzenesulfonamide

Systemtic Name: N,N-diethyl-4-(2-phenylazanyl-3-propyl-1,3-thiazol-3-ium-4-yl)benzenesulfonamide Openeye Name: 4-(2-anilino-3-propyl-thiazol-3-ium-4-yl)-N,N-diethyl-benzenesulfonamide CAS Name: 4-(2-anilino-3-propyl-4-thiazol-3-iumyl)-N,N-diethylbenzenesulfonamide IUPAC Name: 4-(2-anilino-3-propyl-1,3-thiazol-3-ium-4-yl)-N,N-diethylbenzenesulfonamide Traditional Name: 4-(2-anilino-3-propyl-thiazol-3-ium-4-yl)-N,N-diethyl-benzenesulfonamide Formula: C22H28N3O2S2+ MolecularWeight: 430.60662

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N(CC)CC)NC3=CC=CC=C3

Isomeric SMILES

CCC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N(CC)CC)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S2/c1-4-16-25-21(17-28-22(25)23-19-10-8-7-9-11-19)18-12-14-20(15-13-18)29(26,27)24(5-2)6-3/h7-15,17H,4-6,16H2,1-3H3/p+1