1-decoxy-3-[methyl-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)amino]-1-oxidanylidene-propane-2-sulfonic acid

Systemtic Name: 1-decoxy-3-[methyl-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)amino]-1-oxidanylidene-propane-2-sulfonic acid Openeye Name: 1-decoxy-3-[methyl-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)amino]-1-oxo-propane-2-sulfonic acid CAS Name: 1-decoxy-3-[methyl-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)amino]-1-oxo-2-propanesulfonic acid IUPAC Name: 1-decoxy-3-[methyl-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)amino]-1-oxopropane-2-sulfonic acid Traditional Name: 1-decoxy-1-keto-3-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)-methyl-amino]propane-2-sulfonic acid Formula: C24H37N3O6S MolecularWeight: 495.63208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C(CN(C)C1C(=NN(C1=O)C2=CC=CC=C2)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCOC(=O)C(CN(C)C1C(=NN(C1=O)C2=CC=CC=C2)C)S(=O)(=O)O

InChI

InChI=1S/C24H37N3O6S/c1-4-5-6-7-8-9-10-14-17-33-24(29)21(34(30,31)32)18-26(3)22-19(2)25-27(23(22)28)20-15-12-11-13-16-20/h11-13,15-16,21-22H,4-10,14,17-18H2,1-3H3,(H,30,31,32)