3-[2-(4-azanyl-2-chloranyl-phenoxy)ethylsulfamoyl]benzenesulfonyl fluoride; ethanesulfonic acid

Systemtic Name: 3-[2-(4-azanyl-2-chloranyl-phenoxy)ethylsulfamoyl]benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 3-[2-(4-amino-2-chloro-phenoxy)ethylsulfamoyl]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 3-[2-(4-amino-2-chlorophenoxy)ethylsulfamoyl]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 3-[2-(4-amino-2-chlorophenoxy)ethylsulfamoyl]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 3-[2-(4-amino-2-chloro-phenoxy)ethylsulfamoyl]benzenesulfonyl fluoride; esylic acid Formula: C16H20ClFN2O8S3 MolecularWeight: 518.985003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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