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

Systemtic Name: phenyl 3-oxidanylidene-1-phenyl-1-(propan-2-ylsulfonylcarbonylamino)hexane-2-sulfonate Openeye Name: phenyl 1-(isopropylsulfonylcarbonylamino)-3-oxo-1-phenyl-hexane-2-sulfonate CAS Name: 3-oxo-1-[[oxo(propan-2-ylsulfonyl)methyl]amino]-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 3-oxo-1-phenyl-1-(propan-2-ylsulfonylcarbonylamino)hexane-2-sulfonate Traditional Name: 1-(isopropylsulfonylcarbonylamino)-3-keto-1-phenyl-hexane-2-sulfonic 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)C(C)C)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

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