phenyl 3-acetamido-1-oxidanylidene-3-phenyl-2-propan-2-ylsulfonyl-propane-1-sulfonate

Systemtic Name: phenyl 3-acetamido-1-oxidanylidene-3-phenyl-2-propan-2-ylsulfonyl-propane-1-sulfonate Openeye Name: phenyl 3-acetamido-2-isopropylsulfonyl-1-oxo-3-phenyl-propane-1-sulfonate CAS Name: 3-acetamido-1-oxo-3-phenyl-2-propan-2-ylsulfonyl-1-propanesulfonic acid IUPAC Name: phenyl 3-acetamido-1-oxo-3-phenyl-2-propan-2-ylsulfonylpropane-1-sulfonate Traditional Name: 3-acetamido-2-isopropylsulfonyl-1-keto-3-phenyl-propane-1-sulfonic acid phenyl ester Formula: C20H23NO7S2 MolecularWeight: 453.52912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO7S2/c1-14(2)29(24,25)19(18(21-15(3)22)16-10-6-4-7-11-16)20(23)30(26,27)28-17-12-8-5-9-13-17/h4-14,18-19H,1-3H3,(H,21,22)