N-(cyclopropylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(cyclopropylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(cyclopropylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclopropylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(cyclopropylcarbamoyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C16H22FN4O4S+ MolecularWeight: 385.433683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CC1NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H21FN4O4S/c17-12-1-5-14(6-2-12)26(24,25)21-9-7-20(8-10-21)11-15(22)19-16(23)18-13-3-4-13/h1-2,5-6,13H,3-4,7-11H2,(H2,18,19,22,23)/p+1