N,N-diethyl-4-[2-[(4-methoxyphenyl)amino]-3-propyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-[(4-methoxyphenyl)amino]-3-propyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-(4-methoxyanilino)-3-propyl-thiazol-3-ium-4-yl]benzenesulfonamide CAS Name: N,N-diethyl-4-[2-(4-methoxyanilino)-3-propyl-4-thiazol-3-iumyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-(4-methoxyanilino)-3-propyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide Traditional Name: N,N-diethyl-4-[2-(p-anisidino)-3-propyl-thiazol-3-ium-4-yl]benzenesulfonamide Formula: C23H30N3O3S2+ MolecularWeight: 460.6326

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S2/c1-5-16-26-22(17-30-23(26)24-19-10-12-20(29-4)13-11-19)18-8-14-21(15-9-18)31(27,28)25(6-2)7-3/h8-15,17H,5-7,16H2,1-4H3/p+1