2-[1-(4-azanyl-5-methoxy-2-methyl-phenyl)-2-sulfooxy-ethyl]sulfonylethyl hydrogen sulfate

Systemtic Name: 2-[1-(4-azanyl-5-methoxy-2-methyl-phenyl)-2-sulfooxy-ethyl]sulfonylethyl hydrogen sulfate Openeye Name: 2-[1-(4-amino-5-methoxy-2-methyl-phenyl)-2-sulfooxy-ethyl]sulfonylethyl hydrogen sulfate CAS Name: sulfuric acid 2-[1-(4-amino-5-methoxy-2-methylphenyl)-2-sulfooxyethyl]sulfonylethyl ester IUPAC Name: 2-[1-(4-amino-5-methoxy-2-methylphenyl)-2-sulfooxyethyl]sulfonylethyl hydrogen sulfate Traditional Name: sulfuric acid 2-[1-(4-amino-5-methoxy-2-methyl-phenyl)-2-sulfoxy-ethyl]sulfonylethyl ester Formula: C12H19NO11S3 MolecularWeight: 449.47436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(COS(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)OC)N

Isomeric SMILES

CC1=CC(=C(C=C1C(COS(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O)OC)N

InChI

InChI=1S/C12H19NO11S3/c1-8-5-10(13)11(22-2)6-9(8)12(7-24-27(19,20)21)25(14,15)4-3-23-26(16,17)18/h5-6,12H,3-4,7,13H2,1-2H3,(H,16,17,18)(H,19,20,21)