2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]ethanesulfonic acid

Systemtic Name: 2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]ethanesulfonic acid Openeye Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-amino]ethanesulfonic acid CAS Name: 2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylamino]ethanesulfonic acid IUPAC Name: 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]ethanesulfonic acid Traditional Name: 2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-amino]ethanesulfonic acid Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CCS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CCS(=O)(=O)O

InChI

InChI=1S/C14H19N3O4S/c1-11-13(15(2)9-10-22(19,20)21)14(18)17(16(11)3)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,19,20,21)