phenyl 1-(3-methylbutanoylamino)-3-oxidanylidene-1,4-diphenyl-butane-2-sulfonate

Systemtic Name: phenyl 1-(3-methylbutanoylamino)-3-oxidanylidene-1,4-diphenyl-butane-2-sulfonate Openeye Name: phenyl 1-(3-methylbutanoylamino)-3-oxo-1,4-diphenyl-butane-2-sulfonate CAS Name: 1-[(3-methyl-1-oxobutyl)amino]-3-oxo-1,4-diphenyl-2-butanesulfonic acid IUPAC Name: phenyl 1-(3-methylbutanoylamino)-3-oxo-1,4-diphenylbutane-2-sulfonate Traditional Name: 1-(isovalerylamino)-3-keto-1,4-diphenyl-butane-2-sulfonic acid phenyl ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(C1=CC=CC=C1)C(C(=O)CC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC(C1=CC=CC=C1)C(C(=O)CC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C27H29NO5S/c1-20(2)18-25(30)28-26(22-14-8-4-9-15-22)27(24(29)19-21-12-6-3-7-13-21)34(31,32)33-23-16-10-5-11-17-23/h3-17,20,26-27H,18-19H2,1-2H3,(H,28,30)