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

Systemtic Name: phenyl 5-methyl-3-oxidanylidene-1-phenyl-1-(phenylsulfonylcarbonylamino)hexane-2-sulfonate Openeye Name: phenyl 1-(benzenesulfonylcarbonylamino)-5-methyl-3-oxo-1-phenyl-hexane-2-sulfonate CAS Name: 1-[[benzenesulfonyl(oxo)methyl]amino]-5-methyl-3-oxo-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 1-(benzenesulfonylcarbonylamino)-5-methyl-3-oxo-1-phenylhexane-2-sulfonate Traditional Name: 1-(besylcarbonylamino)-3-keto-5-methyl-1-phenyl-hexane-2-sulfonic acid phenyl ester Formula: C26H27NO7S2 MolecularWeight: 529.62508

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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)C2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)C(C(C1=CC=CC=C1)NC(=O)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C26H27NO7S2/c1-19(2)18-23(28)25(36(32,33)34-21-14-8-4-9-15-21)24(20-12-6-3-7-13-20)27-26(29)35(30,31)22-16-10-5-11-17-22/h3-17,19,24-25H,18H2,1-2H3,(H,27,29)