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

Systemtic Name: N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)acetamide CAS Name: N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-methoxyphenyl)-2-(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)acetamide Formula: C22H30N3O4S+ MolecularWeight: 432.5563

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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)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H29N3O4S/c1-17(2)18-7-9-21(10-8-18)30(27,28)25-13-11-24(12-14-25)16-22(26)23-19-5-4-6-20(15-19)29-3/h4-10,15,17H,11-14,16H2,1-3H3,(H,23,26)/p+1