phenyl 1-oxidanylidene-3-phenyl-3-(phenylsulfonylcarbonylamino)-1-propan-2-ylsulfonyl-propane-2-sulfonate

Systemtic Name: phenyl 1-oxidanylidene-3-phenyl-3-(phenylsulfonylcarbonylamino)-1-propan-2-ylsulfonyl-propane-2-sulfonate Openeye Name: phenyl 1-(benzenesulfonylcarbonylamino)-3-isopropylsulfonyl-3-oxo-1-phenyl-propane-2-sulfonate CAS Name: 1-[[benzenesulfonyl(oxo)methyl]amino]-3-oxo-1-phenyl-3-propan-2-ylsulfonyl-2-propanesulfonic acid IUPAC Name: phenyl 1-(benzenesulfonylcarbonylamino)-3-oxo-1-phenyl-3-propan-2-ylsulfonylpropane-2-sulfonate Traditional Name: 1-(besylcarbonylamino)-3-isopropylsulfonyl-3-keto-1-phenyl-propane-2-sulfonic acid phenyl ester Formula: C25H25NO9S3 MolecularWeight: 579.6623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C(=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(C)S(=O)(=O)C(=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/C25H25NO9S3/c1-18(2)36(29,30)24(27)23(38(33,34)35-20-14-8-4-9-15-20)22(19-12-6-3-7-13-19)26-25(28)37(31,32)21-16-10-5-11-17-21/h3-18,22-23H,1-2H3,(H,26,28)