1,4-bis(azanyl)-2-methyl-3-[4-(sulfinoamino)butan-2-yl]benzene; methane; sulfate

Systemtic Name: 1,4-bis(azanyl)-2-methyl-3-[4-(sulfinoamino)butan-2-yl]benzene; methane; sulfate Openeye Name: 1,4-diamino-2-methyl-3-[1-methyl-3-(sulfinoamino)propyl]benzene; methane; sulfate CAS Name: 1,4-diamino-2-methyl-3-[4-(sulfinoamino)butan-2-yl]benzene; methane; sulfate IUPAC Name: 1,4-diamino-2-methyl-3-[4-(sulfinoamino)butan-2-yl]benzene; methane; sulfate Traditional Name: 1,4-diamino-2-methyl-3-[1-methyl-3-(sulfinoamino)propyl]benzene; methane; sulfate Formula: C12H23N3O6S2-2 MolecularWeight: 369.45752

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Descriptors Computed from Structure

Canonical SMILES:

C.CC1=C(C=CC(=C1C(C)CCNS(=O)O)N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C.CC1=C(C=CC(=C1C(C)CCNS(=O)O)N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C11H19N3O2S.CH4.H2O4S/c1-7(5-6-14-17(15)16)11-8(2)9(12)3-4-10(11)13;;1-5(2,3)4/h3-4,7,14H,5-6,12-13H2,1-2H3,(H,15,16);1H4;(H2,1,2,3,4)/p-2