2-[2-[[(2-chloranyl-5-methoxycarbonyl-phenyl)sulfonylamino]methyl]phenoxy]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[[(2-chloranyl-5-methoxycarbonyl-phenyl)sulfonylamino]methyl]phenoxy]ethyl-diethyl-azanium Openeye Name: 2-[2-[[(2-chloro-5-methoxycarbonyl-phenyl)sulfonylamino]methyl]phenoxy]ethyl-diethyl-ammonium CAS Name: 2-[2-[[(2-chloro-5-methoxycarbonylphenyl)sulfonylamino]methyl]phenoxy]ethyl-diethylammonium IUPAC Name: 2-[2-[[(2-chloro-5-methoxycarbonylphenyl)sulfonylamino]methyl]phenoxy]ethyl-diethylazanium Traditional Name: 2-[2-[[(5-carbomethoxy-2-chloro-phenyl)sulfonylamino]methyl]phenoxy]ethyl-diethyl-ammonium Formula: C21H28ClN2O5S+ MolecularWeight: 455.97542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=CC=CC=C1CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)Cl

Isomeric SMILES

CC[NH+](CC)CCOC1=CC=CC=C1CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)OC)Cl

InChI

InChI=1S/C21H27ClN2O5S/c1-4-24(5-2)12-13-29-19-9-7-6-8-17(19)15-23-30(26,27)20-14-16(21(25)28-3)10-11-18(20)22/h6-11,14,23H,4-5,12-13,15H2,1-3H3/p+1