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

Systemtic Name: phenyl 2-[benzamido(phenyl)methyl]-1-oxidanylidene-butane-1-sulfonate Openeye Name: phenyl 2-[benzamido(phenyl)methyl]-1-oxo-butane-1-sulfonate CAS Name: 2-[benzamido(phenyl)methyl]-1-oxo-1-butanesulfonic acid IUPAC Name: phenyl 2-[benzamido(phenyl)methyl]-1-oxobutane-1-sulfonate Traditional Name: 2-[benzamido(phenyl)methyl]-1-keto-butane-1-sulfonic acid phenyl ester Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO5S/c1-2-21(24(27)31(28,29)30-20-16-10-5-11-17-20)22(18-12-6-3-7-13-18)25-23(26)19-14-8-4-9-15-19/h3-17,21-22H,2H2,1H3,(H,25,26)