phenyl oxidanylidene-[[3-oxidanylidene-1-phenyl-2,3-bis(propan-2-ylsulfonyl)propyl]amino]methanesulfonate

Systemtic Name: phenyl oxidanylidene-[[3-oxidanylidene-1-phenyl-2,3-bis(propan-2-ylsulfonyl)propyl]amino]methanesulfonate Openeye Name: phenyl [[2,3-bis(isopropylsulfonyl)-3-oxo-1-phenyl-propyl]amino]-oxo-methanesulfonate CAS Name: oxo-[[3-oxo-1-phenyl-2,3-bis(propan-2-ylsulfonyl)propyl]amino]methanesulfonic acid phenyl ester IUPAC Name: phenyl oxo-[[3-oxo-1-phenyl-2,3-bis(propan-2-ylsulfonyl)propyl]amino]methanesulfonate Traditional Name: [[2,3-bis(isopropylsulfonyl)-3-keto-1-phenyl-propyl]amino]-keto-methanesulfonic acid phenyl ester Formula: C22H27NO9S3 MolecularWeight: 545.64608

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

Isomeric SMILES

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

InChI

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