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

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[4-(2-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H28N5O6S+ MolecularWeight: 454.52052

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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[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O6S/c25-18(21-19(26)20-15-6-2-1-3-7-15)14-22-10-12-23(13-11-22)31(29,30)17-9-5-4-8-16(17)24(27)28/h4-5,8-9,15H,1-3,6-7,10-14H2,(H2,20,21,25,26)/p+1