N-(propan-2-ylcarbamoyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(propan-2-ylcarbamoyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(isopropylcarbamoyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[oxo-(propan-2-ylamino)methyl]-2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(propan-2-ylcarbamoyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(isopropylcarbamoyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H33N4O4S+ MolecularWeight: 425.56542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC(C)C)C)C

InChI

InChI=1S/C20H32N4O4S/c1-13(2)21-20(26)22-18(25)12-23-7-9-24(10-8-23)29(27,28)19-16(5)14(3)11-15(4)17(19)6/h11,13H,7-10,12H2,1-6H3,(H2,21,22,25,26)/p+1