N-(3-propan-2-yloxypropyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-propan-2-yloxypropyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-isopropoxypropyl)-2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(3-propan-2-yloxypropyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-propan-2-yloxypropyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-isopropoxypropyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C21H36N3O4S+ MolecularWeight: 426.59324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCCOC(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCCOC(C)C

InChI

InChI=1S/C21H35N3O4S/c1-17(2)19-6-8-20(9-7-19)29(26,27)24-13-11-23(12-14-24)16-21(25)22-10-5-15-28-18(3)4/h6-9,17-18H,5,10-16H2,1-4H3,(H,22,25)/p+1