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

Systemtic Name: phenyl 1-(3-methylbutanoylamino)-3-oxidanylidene-1-phenyl-3-propan-2-ylsulfonyl-propane-2-sulfonate Openeye Name: phenyl 1-isopropylsulfonyl-3-(3-methylbutanoylamino)-1-oxo-3-phenyl-propane-2-sulfonate CAS Name: 1-[(3-methyl-1-oxobutyl)amino]-3-oxo-1-phenyl-3-propan-2-ylsulfonyl-2-propanesulfonic acid IUPAC Name: phenyl 1-(3-methylbutanoylamino)-3-oxo-1-phenyl-3-propan-2-ylsulfonylpropane-2-sulfonate Traditional Name: 1-isopropylsulfonyl-3-(isovalerylamino)-1-keto-3-phenyl-propane-2-sulfonic acid phenyl ester Formula: C23H29NO7S2 MolecularWeight: 495.60886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)CC(=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/C23H29NO7S2/c1-16(2)15-20(25)24-21(18-11-7-5-8-12-18)22(23(26)32(27,28)17(3)4)33(29,30)31-19-13-9-6-10-14-19/h5-14,16-17,21-22H,15H2,1-4H3,(H,24,25)