[4-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)methyl]benzyl]-diethyl-ammonium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H26N2O4S/c1-3-22(4-2)15-17-7-5-16(6-8-17)14-21-27(23,24)18-9-10-19-20(13-18)26-12-11-25-19/h5-10,13,21H,3-4,11-12,14-15H2,1-2H3/p+1