N-(4-diazanylphenyl)ethanesulfonamide; 5-methoxyindene-1,2,3-trione; hydrate; hydrochloride

Systemtic Name: N-(4-diazanylphenyl)ethanesulfonamide; 5-methoxyindene-1,2,3-trione; hydrate; hydrochloride Openeye Name: N-(4-hydrazinophenyl)ethanesulfonamide; 5-methoxyindane-1,2,3-trione; hydrate; hydrochloride CAS Name: N-(4-hydrazinylphenyl)ethanesulfonamide; 5-methoxyindene-1,2,3-trione; hydrate; hydrochloride IUPAC Name: N-(4-hydrazinylphenyl)ethanesulfonamide; 5-methoxyindene-1,2,3-trione; hydrate; hydrochloride Traditional Name: N-(4-hydrazinophenyl)ethanesulfonamide; 5-methoxyindane-1,2,3-trione; hydrate; hydrochloride Formula: C18H22ClN3O7S MolecularWeight: 459.90118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC=C(C=C1)NN.COC1=CC2=C(C=C1)C(=O)C(=O)C2=O.O.Cl

Isomeric SMILES

CCS(=O)(=O)NC1=CC=C(C=C1)NN.COC1=CC2=C(C=C1)C(=O)C(=O)C2=O.O.Cl

InChI

InChI=1S/C10H6O4.C8H13N3O2S.ClH.H2O/c1-14-5-2-3-6-7(4-5)9(12)10(13)8(6)11;1-2-14(12,13)11-8-5-3-7(10-9)4-6-8;;/h2-4H,1H3;3-6,10-11H,2,9H2,1H3;1H;1H2