phenyl 3-oxidanylidene-1-phenyl-1-(phenylsulfonylcarbonylamino)butane-2-sulfonate

Systemtic Name: phenyl 3-oxidanylidene-1-phenyl-1-(phenylsulfonylcarbonylamino)butane-2-sulfonate Openeye Name: phenyl 1-(benzenesulfonylcarbonylamino)-3-oxo-1-phenyl-butane-2-sulfonate CAS Name: 1-[[benzenesulfonyl(oxo)methyl]amino]-3-oxo-1-phenyl-2-butanesulfonic acid IUPAC Name: phenyl 1-(benzenesulfonylcarbonylamino)-3-oxo-1-phenylbutane-2-sulfonate Traditional Name: 1-(besylcarbonylamino)-3-keto-1-phenyl-butane-2-sulfonic acid phenyl ester Formula: C23H21NO7S2 MolecularWeight: 487.54534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO7S2/c1-17(25)22(33(29,30)31-19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)24-23(26)32(27,28)20-15-9-4-10-16-20/h2-16,21-22H,1H3,(H,24,26)