1,3-benzodioxol-5-ylmethyl-ethyl-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-ethyl-[2-oxidanylidene-2-[(4-sulfamoylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]azanium Traditional Name: ethyl-[2-keto-2-(4-sulfamoylanilino)ethyl]-piperonyl-ammonium Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-2-21(10-13-3-8-16-17(9-13)26-12-25-16)11-18(22)20-14-4-6-15(7-5-14)27(19,23)24/h3-9H,2,10-12H2,1H3,(H,20,22)(H2,19,23,24)/p+1