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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO7S2/c1-2-21(23(26)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/h3-17,21-22H,2H2,1H3,(H,25,27)