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

Systemtic Name: N,N-diethyl-4-(2-phenylazanyl-3-prop-2-enyl-1,3-thiazol-3-ium-4-yl)benzenesulfonamide Openeye Name: 4-(3-allyl-2-anilino-thiazol-3-ium-4-yl)-N,N-diethyl-benzenesulfonamide CAS Name: 4-(2-anilino-3-prop-2-enyl-4-thiazol-3-iumyl)-N,N-diethylbenzenesulfonamide IUPAC Name: 4-(2-anilino-3-prop-2-enyl-1,3-thiazol-3-ium-4-yl)-N,N-diethylbenzenesulfonamide Traditional Name: 4-(3-allyl-2-anilino-thiazol-3-ium-4-yl)-N,N-diethyl-benzenesulfonamide Formula: C22H26N3O2S2+ MolecularWeight: 428.59074

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CC=C)NC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S2/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/h4,7-15,17H,1,5-6,16H2,2-3H3/p+1