2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)ethanamide Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(isopentylcarbamoyl)acetamide CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(3-methylbutylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methylbutylcarbamoyl)acetamide Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(isoamylcarbamoyl)acetamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NCCC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NCCC(C)C)C

InChI

InChI=1S/C20H32N4O4S/c1-15(2)7-8-21-20(26)22-19(25)14-23-9-11-24(12-10-23)29(27,28)18-6-5-16(3)17(4)13-18/h5-6,13,15H,7-12,14H2,1-4H3,(H2,21,22,25,26)/p+1