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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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