N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[5-phenyl-4-(p-tolyl)thiazol-2-yl]benzamide CAS Name: N-[4-(4-methylphenyl)-5-phenyl-2-thiazolyl]-4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-[5-phenyl-4-(p-tolyl)thiazol-2-yl]benzamide Formula: C28H29N4O3S2+ MolecularWeight: 533.68486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3S2/c1-20-8-10-21(11-9-20)25-26(22-6-4-3-5-7-22)36-28(29-25)30-27(33)23-12-14-24(15-13-23)37(34,35)32-18-16-31(2)17-19-32/h3-15H,16-19H2,1-2H3,(H,29,30,33)/p+1