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

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H26FN4O4S+ MolecularWeight: 449.518943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)C

InChI

InChI=1S/C21H25FN4O4S/c1-15-6-7-19(16(2)12-15)23-21(28)24-20(27)14-25-8-10-26(11-9-25)31(29,30)18-5-3-4-17(22)13-18/h3-7,12-13H,8-11,14H2,1-2H3,(H2,23,24,27,28)/p+1