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

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

CC(C)S(=O)(=O)C(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/C25H25NO9S3/c1-18(2)36(29,30)23(24(27)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)