phenyl 2-[acetamido(phenyl)methyl]-4-methyl-1-oxidanylidene-pentane-1-sulfonate

Systemtic Name: phenyl 2-[acetamido(phenyl)methyl]-4-methyl-1-oxidanylidene-pentane-1-sulfonate Openeye Name: phenyl 2-[acetamido(phenyl)methyl]-4-methyl-1-oxo-pentane-1-sulfonate CAS Name: 2-[acetamido(phenyl)methyl]-4-methyl-1-oxo-1-pentanesulfonic acid IUPAC Name: phenyl 2-[acetamido(phenyl)methyl]-4-methyl-1-oxopentane-1-sulfonate Traditional Name: 2-[acetamido(phenyl)methyl]-1-keto-4-methyl-pentane-1-sulfonic acid phenyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-15(2)14-19(20(22-16(3)23)17-10-6-4-7-11-17)21(24)28(25,26)27-18-12-8-5-9-13-18/h4-13,15,19-20H,14H2,1-3H3,(H,22,23)