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

Systemtic Name: phenyl 1-(3-methylbutanoylamino)-3-oxidanylidene-1-phenyl-butane-2-sulfonate Openeye Name: phenyl 1-(3-methylbutanoylamino)-3-oxo-1-phenyl-butane-2-sulfonate CAS Name: 1-[(3-methyl-1-oxobutyl)amino]-3-oxo-1-phenyl-2-butanesulfonic acid IUPAC Name: phenyl 1-(3-methylbutanoylamino)-3-oxo-1-phenylbutane-2-sulfonate Traditional Name: 1-(isovalerylamino)-3-keto-1-phenyl-butane-2-sulfonic acid phenyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-15(2)14-19(24)22-20(17-10-6-4-7-11-17)21(16(3)23)28(25,26)27-18-12-8-5-9-13-18/h4-13,15,20-21H,14H2,1-3H3,(H,22,24)