disodium; [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; 3-methylbutyl 2-(2-diethylaminoethylamino)-2-phenyl-ethanoate

Systemtic Name: disodium; [(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; 3-methylbutyl 2-(2-diethylaminoethylamino)-2-phenyl-ethanoate Openeye Name: disodium; [(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-methyl-amino]methanesulfonate; isopentyl 2-(2-diethylaminoethylamino)-2-phenyl-acetate CAS Name: disodium; 2-(2-diethylaminoethylamino)-2-phenylacetic acid 3-methylbutyl ester; [(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-methylamino]methanesulfonate IUPAC Name: disodium; [(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate; 3-methylbutyl 2-(2-diethylaminoethylamino)-2-phenylacetate Traditional Name: disodium; 2-(2-diethylaminoethylamino)-2-phenyl-acetic acid isoamyl ester; [(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-methyl-amino]methanesulfonate Formula: C45H64N8Na2O10S2 MolecularWeight: 987.1468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C19H32N2O2.2C13H17N3O4S.2Na/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4;2*1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h7-11,16,18,20H,5-6,12-15H2,1-4H3;2*4-8H,9H2,1-3H3,(H,18,19,20);;/q;;;2*+1/p-2