1-[(3-aminocarbonyl-2-methylidene-but-3-enoyl)amino]-2-methyl-propane-1-sulfonic acid; propan-2-one

Systemtic Name: 1-[(3-aminocarbonyl-2-methylidene-but-3-enoyl)amino]-2-methyl-propane-1-sulfonic acid; propan-2-one Openeye Name: acetone; 1-[(3-carbamoyl-2-methylene-but-3-enoyl)amino]-2-methyl-propane-1-sulfonic acid CAS Name: 1-[(3-carbamoyl-2-methylene-1-oxobut-3-enyl)amino]-2-methyl-1-propanesulfonic acid; 2-propanone IUPAC Name: 1-[(3-carbamoyl-2-methylidenebut-3-enoyl)amino]-2-methylpropane-1-sulfonic acid; propan-2-one Traditional Name: acetone; 1-[(3-carbamoyl-2-methylene-but-3-enoyl)amino]-2-methyl-propane-1-sulfonic acid Formula: C16H28N2O7S MolecularWeight: 392.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)C(=C)C(=C)C(=O)N)S(=O)(=O)O.CC(=O)C.CC(=O)C

Isomeric SMILES

CC(C)C(NC(=O)C(=C)C(=C)C(=O)N)S(=O)(=O)O.CC(=O)C.CC(=O)C

InChI

InChI=1S/C10H16N2O5S.2C3H6O/c1-5(2)10(18(15,16)17)12-9(14)7(4)6(3)8(11)13;2*1-3(2)4/h5,10H,3-4H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16,17);2*1-2H3