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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-methylsulfonylanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-methylsulfonylanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-methylsulfonylanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(2-mesylanilino)ethyl]-methyl-piperonyl-ammonium Formula: C18H21N2O5S+ MolecularWeight: 377.43474

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C18H20N2O5S/c1-20(10-13-7-8-15-16(9-13)25-12-24-15)11-18(21)19-14-5-3-4-6-17(14)26(2,22)23/h3-9H,10-12H2,1-2H3,(H,19,21)/p+1