N-(cyclohexylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H28FN4O4S+ MolecularWeight: 427.513423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H27FN4O4S/c20-15-5-4-8-17(13-15)29(27,28)24-11-9-23(10-12-24)14-18(25)22-19(26)21-16-6-2-1-3-7-16/h4-5,8,13,16H,1-3,6-7,9-12,14H2,(H2,21,22,25,26)/p+1