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2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-[(3-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]azanium
Openeye Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxo-ethyl]ammonium
CAS Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]ammonium
IUPAC Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
Traditional Name:2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[2-keto-2-(3-mesylanilino)ethyl]-methyl-ammonium
Formula: C19H23N2O5S+
MolecularWeight: 391.46132
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C


Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCCO2)CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C


InChI

InChI=1S/C19H22N2O5S/c1-21(12-14-6-7-17-18(10-14)26-9-8-25-17)13-19(22)20-15-4-3-5-16(11-15)27(2,23)24/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,20,22)/p+1


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