N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC3=C(C=C(C=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC(=O)NC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C22H28N4O4S/c1-16-4-7-19(8-5-16)31(29,30)26-12-10-25(11-13-26)15-21(27)24-22(28)23-20-9-6-17(2)14-18(20)3/h4-9,14H,10-13,15H2,1-3H3,(H2,23,24,27,28)/p+1