N-(2,6-diethylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C25H36N3O3S+ MolecularWeight: 458.63664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

InChI

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