4-azanyl-2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-4-oxo-2-(p-tolylsulfonylcarbamoylamino)butanoic acid CAS Name: 4-amino-2-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(4-methylphenyl)sulfonylcarbamoylamino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-(tosylcarbamoylamino)butyric acid Formula: C12H15N3O6S MolecularWeight: 329.329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C12H15N3O6S/c1-7-2-4-8(5-3-7)22(20,21)15-12(19)14-9(11(17)18)6-10(13)16/h2-5,9H,6H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)