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

Systemtic Name: phenyl 2-[acetamido(phenyl)methyl]-1-oxidanylidene-pentane-1-sulfonate Openeye Name: phenyl 2-[acetamido(phenyl)methyl]-1-oxo-pentane-1-sulfonate CAS Name: 2-[acetamido(phenyl)methyl]-1-oxo-1-pentanesulfonic acid IUPAC Name: phenyl 2-[acetamido(phenyl)methyl]-1-oxopentane-1-sulfonate Traditional Name: 2-[acetamido(phenyl)methyl]-1-keto-pentane-1-sulfonic acid phenyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-3-10-18(19(21-15(2)22)16-11-6-4-7-12-16)20(23)27(24,25)26-17-13-8-5-9-14-17/h4-9,11-14,18-19H,3,10H2,1-2H3,(H,21,22)