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

Systemtic Name: phenyl 3-oxidanylidene-1-(phenoxysulfonylcarbonylamino)-1-phenyl-butane-2-sulfonate Openeye Name: phenyl 3-oxo-1-(phenoxysulfonylcarbonylamino)-1-phenyl-butane-2-sulfonate CAS Name: 3-oxo-1-[[oxo(phenoxysulfonyl)methyl]amino]-1-phenyl-2-butanesulfonic acid IUPAC Name: phenyl 3-oxo-1-(phenoxysulfonylcarbonylamino)-1-phenylbutane-2-sulfonate Traditional Name: 3-keto-1-(phenoxysulfonylcarbonylamino)-1-phenyl-butane-2-sulfonic acid phenyl ester Formula: C23H21NO8S2 MolecularWeight: 503.54474

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)OC2=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)OC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C23H21NO8S2/c1-17(25)22(33(27,28)31-19-13-7-3-8-14-19)21(18-11-5-2-6-12-18)24-23(26)34(29,30)32-20-15-9-4-10-16-20/h2-16,21-22H,1H3,(H,24,26)