phenyl 1-oxidanylidene-3-phenyl-3-(propanoylamino)-1-propan-2-ylsulfonyl-propane-2-sulfonate

Systemtic Name: phenyl 1-oxidanylidene-3-phenyl-3-(propanoylamino)-1-propan-2-ylsulfonyl-propane-2-sulfonate Openeye Name: phenyl 1-isopropylsulfonyl-1-oxo-3-phenyl-3-(propanoylamino)propane-2-sulfonate CAS Name: 1-oxo-3-(1-oxopropylamino)-3-phenyl-1-propan-2-ylsulfonyl-2-propanesulfonic acid IUPAC Name: phenyl 1-oxo-3-phenyl-3-(propanoylamino)-1-propan-2-ylsulfonylpropane-2-sulfonate Traditional Name: 1-isopropylsulfonyl-1-keto-3-phenyl-3-propionamido-propane-2-sulfonic acid phenyl ester Formula: C21H25NO7S2 MolecularWeight: 467.5557

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C1=CC=CC=C1)C(C(=O)S(=O)(=O)C(C)C)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC(C1=CC=CC=C1)C(C(=O)S(=O)(=O)C(C)C)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C21H25NO7S2/c1-4-18(23)22-19(16-11-7-5-8-12-16)20(21(24)30(25,26)15(2)3)31(27,28)29-17-13-9-6-10-14-17/h5-15,19-20H,4H2,1-3H3,(H,22,23)