1-[[3-(4,4-dimethyl-3-oxidanylidene-pyrazolidin-1-yl)phenyl]amino]propane-1-sulfonic acid

Systemtic Name: 1-[[3-(4,4-dimethyl-3-oxidanylidene-pyrazolidin-1-yl)phenyl]amino]propane-1-sulfonic acid Openeye Name: 1-[3-(4,4-dimethyl-3-oxo-pyrazolidin-1-yl)anilino]propane-1-sulfonic acid CAS Name: 1-[3-(4,4-dimethyl-3-oxo-1-pyrazolidinyl)anilino]-1-propanesulfonic acid IUPAC Name: 1-[3-(4,4-dimethyl-3-oxopyrazolidin-1-yl)anilino]propane-1-sulfonic acid Traditional Name: 1-[3-(3-keto-4,4-dimethyl-pyrazolidin-1-yl)anilino]propane-1-sulfonic acid Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC1=CC=CC(=C1)N2CC(C(=O)N2)(C)C)S(=O)(=O)O

Isomeric SMILES

CCC(NC1=CC=CC(=C1)N2CC(C(=O)N2)(C)C)S(=O)(=O)O

InChI

InChI=1S/C14H21N3O4S/c1-4-12(22(19,20)21)15-10-6-5-7-11(8-10)17-9-14(2,3)13(18)16-17/h5-8,12,15H,4,9H2,1-3H3,(H,16,18)(H,19,20,21)