N,N-diethyl-4-[3-(3-morpholin-4-ylpropyl)-2-phenylazanyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[3-(3-morpholin-4-ylpropyl)-2-phenylazanyl-1,3-thiazol-3-ium-4-yl]benzenesulfonamide Openeye Name: 4-[2-anilino-3-(3-morpholinopropyl)thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-anilino-3-[3-(4-morpholinyl)propyl]-4-thiazol-3-iumyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-anilino-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-3-ium-4-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-anilino-3-(3-morpholinopropyl)thiazol-3-ium-4-yl]-N,N-diethyl-benzenesulfonamide Formula: C26H35N4O3S2+ MolecularWeight: 515.7111

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CCCN3CCOCC3)NC4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=[N+]2CCCN3CCOCC3)NC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O3S2/c1-3-29(4-2)35(31,32)24-13-11-22(12-14-24)25-21-34-26(27-23-9-6-5-7-10-23)30(25)16-8-15-28-17-19-33-20-18-28/h5-7,9-14,21H,3-4,8,15-20H2,1-2H3/p+1