phenyl 1-(butanoylamino)-3-oxidanylidene-1-phenyl-3-propan-2-ylsulfonyl-propane-2-sulfonate

Systemtic Name: phenyl 1-(butanoylamino)-3-oxidanylidene-1-phenyl-3-propan-2-ylsulfonyl-propane-2-sulfonate Openeye Name: phenyl 1-(butanoylamino)-3-isopropylsulfonyl-3-oxo-1-phenyl-propane-2-sulfonate CAS Name: 1-oxo-3-(1-oxobutylamino)-3-phenyl-1-propan-2-ylsulfonyl-2-propanesulfonic acid IUPAC Name: phenyl 1-(butanoylamino)-3-oxo-1-phenyl-3-propan-2-ylsulfonylpropane-2-sulfonate Traditional Name: 1-butyramido-3-isopropylsulfonyl-3-keto-1-phenyl-propane-2-sulfonic acid phenyl ester Formula: C22H27NO7S2 MolecularWeight: 481.58228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7S2/c1-4-11-19(24)23-20(17-12-7-5-8-13-17)21(22(25)31(26,27)16(2)3)32(28,29)30-18-14-9-6-10-15-18/h5-10,12-16,20-21H,4,11H2,1-3H3,(H,23,24)