1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21N3O5S/c1-12(18(22)20-14-4-6-15(7-5-14)27(19,23)24)21(2)10-13-3-8-16-17(9-13)26-11-25-16/h3-9,12H,10-11H2,1-2H3,(H,20,22)(H2,19,23,24)/p+1/t12-/m1/s1