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

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)acetamide CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)acetamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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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)NC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4S/c1-13(2)19-18(24)20-17(23)12-21-7-9-22(10-8-21)27(25,26)16-6-5-14(3)15(4)11-16/h5-6,11,13H,7-10,12H2,1-4H3,(H2,19,20,23,24)/p+1