4-[2-(4-azanyl-2-chloranyl-phenoxy)ethylsulfamoyl]benzenesulfonyl fluoride; ethanesulfonic acid

Systemtic Name: 4-[2-(4-azanyl-2-chloranyl-phenoxy)ethylsulfamoyl]benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 4-[2-(4-amino-2-chloro-phenoxy)ethylsulfamoyl]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 4-[2-(4-amino-2-chlorophenoxy)ethylsulfamoyl]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 4-[2-(4-amino-2-chlorophenoxy)ethylsulfamoyl]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 4-[2-(4-amino-2-chloro-phenoxy)ethylsulfamoyl]benzenesulfonyl fluoride; esylic acid Formula: C16H20ClFN2O8S3 MolecularWeight: 518.985003

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.C1=CC(=CC=C1S(=O)(=O)NCCOC2=C(C=C(C=C2)N)Cl)S(=O)(=O)F

Isomeric SMILES

CCS(=O)(=O)O.C1=CC(=CC=C1S(=O)(=O)NCCOC2=C(C=C(C=C2)N)Cl)S(=O)(=O)F

InChI

InChI=1S/C14H14ClFN2O5S2.C2H6O3S/c15-13-9-10(17)1-6-14(13)23-8-7-18-25(21,22)12-4-2-11(3-5-12)24(16,19)20;1-2-6(3,4)5/h1-6,9,18H,7-8,17H2;2H2,1H3,(H,3,4,5)