[3-(2-dimethylaminoethyl)-5-(methylsulfamoylmethyl)indol-1-yl] hydrogen sulfate

Systemtic Name: [3-(2-dimethylaminoethyl)-5-(methylsulfamoylmethyl)indol-1-yl] hydrogen sulfate Openeye Name: [3-(2-dimethylaminoethyl)-5-(methylsulfamoylmethyl)indol-1-yl] hydrogen sulfate CAS Name: sulfuric acid [3-(2-dimethylaminoethyl)-5-(methylsulfamoylmethyl)-1-indolyl] ester IUPAC Name: [3-(2-dimethylaminoethyl)-5-(methylsulfamoylmethyl)indol-1-yl] hydrogen sulfate Traditional Name: sulfuric acid [3-(2-dimethylaminoethyl)-5-(methylsulfamoylmethyl)indol-1-yl] ester Formula: C14H21N3O6S2 MolecularWeight: 391.46304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC2=C(C=C1)N(C=C2CCN(C)C)OS(=O)(=O)O

Isomeric SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)N(C=C2CCN(C)C)OS(=O)(=O)O

InChI

InChI=1S/C14H21N3O6S2/c1-15-24(18,19)10-11-4-5-14-13(8-11)12(6-7-16(2)3)9-17(14)23-25(20,21)22/h4-5,8-9,15H,6-7,10H2,1-3H3,(H,20,21,22)