2-[(4-chlorophenyl)sulfonyl-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4-chlorophenyl)sulfonyl-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-chlorophenyl)sulfonyl-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4-chlorophenyl)sulfonyl-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-chlorophenyl)sulfonyl-(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl-diethyl-ammonium Formula: C20H26ClN2O4S+ MolecularWeight: 425.94944

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC[NH+](CC)CCN(C1=CC2=C(C=C1)OCCO2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H25ClN2O4S/c1-3-22(4-2)11-12-23(28(24,25)18-8-5-16(21)6-9-18)17-7-10-19-20(15-17)27-14-13-26-19/h5-10,15H,3-4,11-14H2,1-2H3/p+1