1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium Traditional Name: [2-keto-2-(3-sulfamoylanilino)ethyl]-methyl-piperonyl-ammonium Formula: C17H20N3O5S+ MolecularWeight: 378.4228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C17H19N3O5S/c1-20(9-12-5-6-15-16(7-12)25-11-24-15)10-17(21)19-13-3-2-4-14(8-13)26(18,22)23/h2-8H,9-11H2,1H3,(H,19,21)(H2,18,22,23)/p+1