N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[3-(2-methylthiazol-4-yl)phenyl]acetamide CAS Name: N-[3-(2-methyl-4-thiazolyl)phenyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[3-(2-methylthiazol-4-yl)phenyl]acetamide Formula: C23H27N4O3S2+ MolecularWeight: 471.61548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S2/c1-18-24-22(16-31-18)20-8-5-9-21(14-20)25-23(28)15-26-10-12-27(13-11-26)32(29,30)17-19-6-3-2-4-7-19/h2-9,14,16H,10-13,15,17H2,1H3,(H,25,28)/p+1