2-methyl-5-oxidanylidene-4-(2-phenylethanoylamino)pyrazolidine-1-sulfonic acid

Systemtic Name: 2-methyl-5-oxidanylidene-4-(2-phenylethanoylamino)pyrazolidine-1-sulfonic acid Openeye Name: 2-methyl-5-oxo-4-[(2-phenylacetyl)amino]pyrazolidine-1-sulfonic acid CAS Name: 2-methyl-5-oxo-4-[(1-oxo-2-phenylethyl)amino]-1-pyrazolidinesulfonic acid IUPAC Name: 2-methyl-5-oxo-4-[(2-phenylacetyl)amino]pyrazolidine-1-sulfonic acid Traditional Name: 5-keto-2-methyl-4-[(2-phenylacetyl)amino]pyrazolidine-1-sulfonic acid Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CN1CC(C(=O)N1S(=O)(=O)O)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C12H15N3O5S/c1-14-8-10(12(17)15(14)21(18,19)20)13-11(16)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,16)(H,18,19,20)