2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-bis(2-methylpropyl)ethanamide

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-bis(2-methylpropyl)ethanamide Openeye Name: N,N-diisobutyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N,N-bis(2-methylpropyl)acetamide IUPAC Name: 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N,N-bis(2-methylpropyl)acetamide Traditional Name: N,N-diisobutyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H36N3O4S+ MolecularWeight: 426.59324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

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