sodium [(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methyl-amino]methanesulfonate

Systemtic Name: sodium [(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methyl-amino]methanesulfonate Openeye Name: sodium [(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methyl-amino]methanesulfonate CAS Name: sodium [(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methylamino]methanesulfonate IUPAC Name: sodium [(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methylamino]methanesulfonate Traditional Name: sodium [(2,3-dimethyl-1-phenyl-3-pyrazolin-4-yl)-methyl-amino]methanesulfonate Formula: C13H18N3NaO3S MolecularWeight: 319.35509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CN(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(CN(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H19N3O3S.Na/c1-11-13(14(2)10-20(17,18)19)9-16(15(11)3)12-7-5-4-6-8-12;/h4-8H,9-10H2,1-3H3,(H,17,18,19);/q;+1/p-1