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

Systemtic Name: phenyl 3-oxidanylidene-1-phenyl-1-(phenylsulfonylcarbonylamino)pentane-2-sulfonate Openeye Name: phenyl 1-(benzenesulfonylcarbonylamino)-3-oxo-1-phenyl-pentane-2-sulfonate CAS Name: 1-[[benzenesulfonyl(oxo)methyl]amino]-3-oxo-1-phenyl-2-pentanesulfonic acid IUPAC Name: phenyl 1-(benzenesulfonylcarbonylamino)-3-oxo-1-phenylpentane-2-sulfonate Traditional Name: 1-(besylcarbonylamino)-3-keto-1-phenyl-pentane-2-sulfonic acid phenyl ester Formula: C24H23NO7S2 MolecularWeight: 501.57192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=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

CCC(=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/C24H23NO7S2/c1-2-21(26)23(34(30,31)32-19-14-8-4-9-15-19)22(18-12-6-3-7-13-18)25-24(27)33(28,29)20-16-10-5-11-17-20/h3-17,22-23H,2H2,1H3,(H,25,27)