phenyl oxidanylidene-[(3-oxidanylidene-1-phenyl-2-propan-2-ylsulfonyl-hexyl)amino]methanesulfonate

Systemtic Name: phenyl oxidanylidene-[(3-oxidanylidene-1-phenyl-2-propan-2-ylsulfonyl-hexyl)amino]methanesulfonate Openeye Name: phenyl [(2-isopropylsulfonyl-3-oxo-1-phenyl-hexyl)amino]-oxo-methanesulfonate CAS Name: oxo-[(3-oxo-1-phenyl-2-propan-2-ylsulfonylhexyl)amino]methanesulfonic acid phenyl ester IUPAC Name: phenyl oxo-[(3-oxo-1-phenyl-2-propan-2-ylsulfonylhexyl)amino]methanesulfonate Traditional Name: [(2-isopropylsulfonyl-3-keto-1-phenyl-hexyl)amino]-keto-methanesulfonic acid phenyl ester Formula: C22H27NO7S2 MolecularWeight: 481.58228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7S2/c1-4-11-19(24)21(31(26,27)16(2)3)20(17-12-7-5-8-13-17)23-22(25)32(28,29)30-18-14-9-6-10-15-18/h5-10,12-16,20-21H,4,11H2,1-3H3,(H,23,25)