cyclohexyl-[2-[[4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]-sulfo-azanium chloride

Systemtic Name: cyclohexyl-[2-[[4-(5-methyl-3-oxidanylidene-1H-pyrazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]-sulfo-azanium chloride Openeye Name: cyclohexyl-[2-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)anilino]-2-oxo-ethyl]-sulfo-ammonium chloride CAS Name: cyclohexyl-[2-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)anilino]-2-oxoethyl]-sulfoammonium chloride IUPAC Name: cyclohexyl-[2-[4-(5-methyl-3-oxo-1H-pyrazol-2-yl)anilino]-2-oxoethyl]-sulfoazanium chloride Traditional Name: cyclohexyl-[2-keto-2-[4-(5-keto-3-methyl-3-pyrazolin-1-yl)anilino]ethyl]-sulfo-ammonium chloride Formula: C18H25ClN4O5S MolecularWeight: 444.9329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C2=CC=C(C=C2)NC(=O)C[NH+](C3CCCCC3)S(=O)(=O)O.[Cl-]

Isomeric SMILES

CC1=CC(=O)N(N1)C2=CC=C(C=C2)NC(=O)C[NH+](C3CCCCC3)S(=O)(=O)O.[Cl-]

InChI

InChI=1S/C18H24N4O5S.ClH/c1-13-11-18(24)22(20-13)16-9-7-14(8-10-16)19-17(23)12-21(28(25,26)27)15-5-3-2-4-6-15;/h7-11,15,20H,2-6,12H2,1H3,(H,19,23)(H,25,26,27);1H