phenyl oxidanylidene-[(1-phenyl-2-propan-2-ylsulfonylcarbonyl-butyl)amino]methanesulfonate

Systemtic Name: phenyl oxidanylidene-[(1-phenyl-2-propan-2-ylsulfonylcarbonyl-butyl)amino]methanesulfonate Openeye Name: phenyl [(2-isopropylsulfonylcarbonyl-1-phenyl-butyl)amino]-oxo-methanesulfonate CAS Name: oxo-[[2-[oxo(propan-2-ylsulfonyl)methyl]-1-phenylbutyl]amino]methanesulfonic acid phenyl ester IUPAC Name: phenyl oxo-[(1-phenyl-2-propan-2-ylsulfonylcarbonylbutyl)amino]methanesulfonate Traditional Name: [(2-isopropylsulfonylcarbonyl-1-phenyl-butyl)amino]-keto-methanesulfonic acid phenyl ester Formula: C21H25NO7S2 MolecularWeight: 467.5557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(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/C21H25NO7S2/c1-4-18(20(23)30(25,26)15(2)3)19(16-11-7-5-8-12-16)22-21(24)31(27,28)29-17-13-9-6-10-14-17/h5-15,18-19H,4H2,1-3H3,(H,22,24)