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

Systemtic Name: sodium [(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methyl-amino]methanesulfonate hydrate Openeye Name: sodium [(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methyl-amino]methanesulfonate hydrate CAS Name: sodium [(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methylamino]methanesulfonate hydrate IUPAC Name: sodium [(1,5-dimethyl-2-phenyl-3H-pyrazol-4-yl)-methylamino]methanesulfonate hydrate Traditional Name: sodium [(2,3-dimethyl-1-phenyl-3-pyrazolin-4-yl)-methyl-amino]methanesulfonate hydrate Formula: C13H20N3NaO4S MolecularWeight: 337.37037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S.Na.H2O/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);;1H2/q;+1;/p-1