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

Systemtic Name: N-(2-methyl-6-propan-2-yl-phenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-isopropyl-6-methyl-phenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methyl-6-propan-2-ylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-isopropyl-6-methyl-phenyl)-2-(4-mesitylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C25H36N3O3S+ MolecularWeight: 458.63664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C25H35N3O3S/c1-17(2)22-9-7-8-19(4)24(22)26-23(29)16-27-10-12-28(13-11-27)32(30,31)25-20(5)14-18(3)15-21(25)6/h7-9,14-15,17H,10-13,16H2,1-6H3,(H,26,29)/p+1