4-[3-(4-azanyl-2-chloranyl-phenyl)propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid

Systemtic Name: 4-[3-(4-azanyl-2-chloranyl-phenyl)propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 4-[3-(4-amino-2-chloro-phenyl)propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 4-[[3-(4-amino-2-chlorophenyl)-1-oxopropyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 4-[3-(4-amino-2-chlorophenyl)propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 4-[3-(4-amino-2-chloro-phenyl)propanoylamino]benzenesulfonyl fluoride; esylic acid Formula: C17H20ClFN2O6S2 MolecularWeight: 466.931903

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.C1=CC(=CC=C1NC(=O)CCC2=C(C=C(C=C2)N)Cl)S(=O)(=O)F

Isomeric SMILES

CCS(=O)(=O)O.C1=CC(=CC=C1NC(=O)CCC2=C(C=C(C=C2)N)Cl)S(=O)(=O)F

InChI

InChI=1S/C15H14ClFN2O3S.C2H6O3S/c16-14-9-11(18)3-1-10(14)2-8-15(20)19-12-4-6-13(7-5-12)23(17,21)22;1-2-6(3,4)5/h1,3-7,9H,2,8,18H2,(H,19,20);2H2,1H3,(H,3,4,5)