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

Systemtic Name: phenyl 2-[benzamido(phenyl)methyl]-1-oxidanylidene-pentane-1-sulfonate Openeye Name: phenyl 2-[benzamido(phenyl)methyl]-1-oxo-pentane-1-sulfonate CAS Name: 2-[benzamido(phenyl)methyl]-1-oxo-1-pentanesulfonic acid IUPAC Name: phenyl 2-[benzamido(phenyl)methyl]-1-oxopentane-1-sulfonate Traditional Name: 2-[benzamido(phenyl)methyl]-1-keto-pentane-1-sulfonic acid phenyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C(=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C(=O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C25H25NO5S/c1-2-12-22(25(28)32(29,30)31-21-17-10-5-11-18-21)23(19-13-6-3-7-14-19)26-24(27)20-15-8-4-9-16-20/h3-11,13-18,22-23H,2,12H2,1H3,(H,26,27)