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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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