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

Systemtic Name: 4-(3-tert-butyl-2-phenylazanyl-1,3-thiazol-3-ium-4-yl)-N,N-diethyl-benzenesulfonamide Openeye Name: 4-(2-anilino-3-tert-butyl-thiazol-3-ium-4-yl)-N,N-diethyl-benzenesulfonamide CAS Name: 4-(2-anilino-3-tert-butyl-4-thiazol-3-iumyl)-N,N-diethylbenzenesulfonamide IUPAC Name: 4-(2-anilino-3-tert-butyl-1,3-thiazol-3-ium-4-yl)-N,N-diethylbenzenesulfonamide Traditional Name: 4-(2-anilino-3-tert-butyl-thiazol-3-ium-4-yl)-N,N-diethyl-benzenesulfonamide Formula: C23H30N3O2S2+ MolecularWeight: 444.6332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S2/c1-6-25(7-2)30(27,28)20-15-13-18(14-16-20)21-17-29-22(26(21)23(3,4)5)24-19-11-9-8-10-12-19/h8-17H,6-7H2,1-5H3/p+1