dicyclohexylazanium; 2-diethoxyphosphoryl-3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(p-tolylsulfonylamino)propanoate CAS Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-[(4-methylphenyl)sulfonylamino]propanoate IUPAC Name: dicyclohexylazanium; 2-diethoxyphosphoryl-3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: dicyclohexylammonium; 2-diethoxyphosphoryl-3-(tosylamino)propionate Formula: C26H45N2O7PS MolecularWeight: 560.683461

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CNS(=O)(=O)C1=CC=C(C=C1)C)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCOP(=O)(C(CNS(=O)(=O)C1=CC=C(C=C1)C)C(=O)[O-])OCC.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C14H22NO7PS.C12H23N/c1-4-21-23(18,22-5-2)13(14(16)17)10-15-24(19,20)12-8-6-11(3)7-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h6-9,13,15H,4-5,10H2,1-3H3,(H,16,17);11-13H,1-10H2