phenyl 5-methyl-3-oxidanylidene-1-phenyl-1-(propan-2-ylsulfonylcarbonylamino)hexane-2-sulfonate

Systemtic Name: phenyl 5-methyl-3-oxidanylidene-1-phenyl-1-(propan-2-ylsulfonylcarbonylamino)hexane-2-sulfonate Openeye Name: phenyl 1-(isopropylsulfonylcarbonylamino)-5-methyl-3-oxo-1-phenyl-hexane-2-sulfonate CAS Name: 5-methyl-3-oxo-1-[[oxo(propan-2-ylsulfonyl)methyl]amino]-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 5-methyl-3-oxo-1-phenyl-1-(propan-2-ylsulfonylcarbonylamino)hexane-2-sulfonate Traditional Name: 1-(isopropylsulfonylcarbonylamino)-3-keto-5-methyl-1-phenyl-hexane-2-sulfonic acid phenyl ester Formula: C23H29NO7S2 MolecularWeight: 495.60886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=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)CC(=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/C23H29NO7S2/c1-16(2)15-20(25)22(33(29,30)31-19-13-9-6-10-14-19)21(18-11-7-5-8-12-18)24-23(26)32(27,28)17(3)4/h5-14,16-17,21-22H,15H2,1-4H3,(H,24,26)