N-(2-ethyl-6-methyl-phenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C

InChI

InChI=1S/C24H33N3O3S/c1-5-20-8-6-7-19(4)24(20)25-23(28)17-26-13-15-27(16-14-26)31(29,30)22-11-9-21(10-12-22)18(2)3/h6-12,18H,5,13-17H2,1-4H3,(H,25,28)/p+1