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

Systemtic Name: phenyl 1-oxidanylidene-3-phenyl-1-propan-2-ylsulfonyl-3-(propan-2-ylsulfonylcarbonylamino)propane-2-sulfonate Openeye Name: phenyl 1-isopropylsulfonyl-3-(isopropylsulfonylcarbonylamino)-1-oxo-3-phenyl-propane-2-sulfonate CAS Name: 1-oxo-3-[[oxo(propan-2-ylsulfonyl)methyl]amino]-3-phenyl-1-propan-2-ylsulfonyl-2-propanesulfonic acid IUPAC Name: phenyl 1-oxo-3-phenyl-1-propan-2-ylsulfonyl-3-(propan-2-ylsulfonylcarbonylamino)propane-2-sulfonate Traditional Name: 1-isopropylsulfonyl-3-(isopropylsulfonylcarbonylamino)-1-keto-3-phenyl-propane-2-sulfonic acid phenyl ester Formula: C22H27NO9S3 MolecularWeight: 545.64608

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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)C(C)C)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(C)S(=O)(=O)C(=O)C(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)C(C)C)S(=O)(=O)OC2=CC=CC=C2

InChI

InChI=1S/C22H27NO9S3/c1-15(2)33(26,27)21(24)20(35(30,31)32-18-13-9-6-10-14-18)19(17-11-7-5-8-12-17)23-22(25)34(28,29)16(3)4/h5-16,19-20H,1-4H3,(H,23,25)