2-azanyl-1-(ethylamino)-3-methyl-4-[2-(sulfinoamino)ethyl]benzene; methane; sulfate

Systemtic Name: 2-azanyl-1-(ethylamino)-3-methyl-4-[2-(sulfinoamino)ethyl]benzene; methane; sulfate Openeye Name: 2-amino-1-(ethylamino)-3-methyl-4-[2-(sulfinoamino)ethyl]benzene; methane; sulfate CAS Name: 2-amino-1-(ethylamino)-3-methyl-4-[2-(sulfinoamino)ethyl]benzene; methane; sulfate IUPAC Name: 2-amino-1-(ethylamino)-3-methyl-4-[2-(sulfinoamino)ethyl]benzene; methane; sulfate Traditional Name: 2-amino-1-(ethylamino)-3-methyl-4-[2-(sulfinoamino)ethyl]benzene; methane; sulfate Formula: C12H23N3O6S2-2 MolecularWeight: 369.45752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C.CCNC1=C(C(=C(C=C1)CCNS(=O)O)C)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C.CCNC1=C(C(=C(C=C1)CCNS(=O)O)C)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C11H19N3O2S.CH4.H2O4S/c1-3-13-10-5-4-9(8(2)11(10)12)6-7-14-17(15)16;;1-5(2,3)4/h4-5,13-14H,3,6-7,12H2,1-2H3,(H,15,16);1H4;(H2,1,2,3,4)/p-2