N,N-diethyl-4-[2-[(4-methylphenyl)amino]-3-prop-2-enyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-[(4-methylphenyl)amino]-3-prop-2-enyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide Openeye Name: 4-[3-allyl-2-(4-methylanilino)thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(4-methylanilino)-3-prop-2-enyl-4-thiazol-3-iumyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(4-methylanilino)-3-prop-2-enyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide Traditional Name: 4-[3-allyl-2-(p-toluidino)thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide Formula: C23H28N3O2S2+ MolecularWeight: 442.61732

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S2/c1-5-16-26-22(17-29-23(26)24-20-12-8-18(4)9-13-20)19-10-14-21(15-11-19)30(27,28)25(6-2)7-3/h5,8-15,17H,1,6-7,16H2,2-4H3/p+1