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

Systemtic Name: phenyl 1-(3-methylbutanoylamino)-3-oxidanylidene-1-phenyl-hexane-2-sulfonate Openeye Name: phenyl 1-(3-methylbutanoylamino)-3-oxo-1-phenyl-hexane-2-sulfonate CAS Name: 1-[(3-methyl-1-oxobutyl)amino]-3-oxo-1-phenyl-2-hexanesulfonic acid IUPAC Name: phenyl 1-(3-methylbutanoylamino)-3-oxo-1-phenylhexane-2-sulfonate Traditional Name: 1-(isovalerylamino)-3-keto-1-phenyl-hexane-2-sulfonic acid phenyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S/c1-4-11-20(25)23(30(27,28)29-19-14-9-6-10-15-19)22(18-12-7-5-8-13-18)24-21(26)16-17(2)3/h5-10,12-15,17,22-23H,4,11,16H2,1-3H3,(H,24,26)