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

Systemtic Name: 1-azanyl-4-(ethylamino)-2-methyl-3-[2-(sulfinoamino)ethyl]benzene; methane; sulfate; hydrate Openeye Name: 1-amino-4-(ethylamino)-2-methyl-3-[2-(sulfinoamino)ethyl]benzene; methane; sulfate; hydrate CAS Name: 1-amino-4-(ethylamino)-2-methyl-3-[2-(sulfinoamino)ethyl]benzene; methane; sulfate; hydrate IUPAC Name: 1-amino-4-(ethylamino)-2-methyl-3-[2-(sulfinoamino)ethyl]benzene; methane; sulfate; hydrate Traditional Name: 1-amino-4-(ethylamino)-2-methyl-3-[2-(sulfinoamino)ethyl]benzene; methane; sulfate; hydrate Formula: C12H25N3O7S2-2 MolecularWeight: 387.4728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H19N3O2S.CH4.H2O4S.H2O/c1-3-13-11-5-4-10(12)8(2)9(11)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);1H2/p-2