N-[2-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]ethyl]methanesulfonamide; phosphonooxymethanolate

Systemtic Name: N-[2-[(4-azanyl-3-methyl-phenyl)-ethyl-amino]ethyl]methanesulfonamide; phosphonooxymethanolate Openeye Name: N-[2-(4-amino-N-ethyl-3-methyl-anilino)ethyl]methanesulfonamide; phosphonooxymethanolate CAS Name: N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide; phosphonooxymethanolate IUPAC Name: N-[2-(4-amino-N-ethyl-3-methylanilino)ethyl]methanesulfonamide; phosphonooxymethanolate Traditional Name: N-[2-(4-amino-N-ethyl-3-methyl-anilino)ethyl]methanesulfonamide; phosphonooxymethanolate Formula: C13H25N3O7PS- MolecularWeight: 398.392261

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.C([O-])OP(=O)(O)O

Isomeric SMILES

CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.C([O-])OP(=O)(O)O

InChI

InChI=1S/C12H21N3O2S.CH4O5P/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;2-1-6-7(3,4)5/h5-6,9,14H,4,7-8,13H2,1-3H3;1H2,(H2,3,4,5)/q;-1