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

Systemtic Name: phenyl 5-methyl-1-(3-methylbutanoylamino)-3-oxidanylidene-1-phenyl-hexane-2-sulfonate Openeye Name: phenyl 5-methyl-1-(3-methylbutanoylamino)-3-oxo-1-phenyl-hexane-2-sulfonate CAS Name: 5-methyl-1-[(3-methyl-1-oxobutyl)amino]-3-oxo-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 5-methyl-1-(3-methylbutanoylamino)-3-oxo-1-phenylhexane-2-sulfonate Traditional Name: 1-(isovalerylamino)-3-keto-5-methyl-1-phenyl-hexane-2-sulfonic acid phenyl ester Formula: C24H31NO5S MolecularWeight: 445.57164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO5S/c1-17(2)15-21(26)24(31(28,29)30-20-13-9-6-10-14-20)23(19-11-7-5-8-12-19)25-22(27)16-18(3)4/h5-14,17-18,23-24H,15-16H2,1-4H3,(H,25,27)