phenyl 3-oxidanylidene-1-phenyl-1-(propan-2-ylsulfonylcarbonylamino)pentane-2-sulfonate

Systemtic Name: phenyl 3-oxidanylidene-1-phenyl-1-(propan-2-ylsulfonylcarbonylamino)pentane-2-sulfonate Openeye Name: phenyl 1-(isopropylsulfonylcarbonylamino)-3-oxo-1-phenyl-pentane-2-sulfonate CAS Name: 3-oxo-1-[[oxo(propan-2-ylsulfonyl)methyl]amino]-1-phenyl-2-pentanesulfonic acid IUPAC Name: phenyl 3-oxo-1-phenyl-1-(propan-2-ylsulfonylcarbonylamino)pentane-2-sulfonate Traditional Name: 1-(isopropylsulfonylcarbonylamino)-3-keto-1-phenyl-pentane-2-sulfonic acid phenyl ester Formula: C21H25NO7S2 MolecularWeight: 467.5557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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