4-[3-(4-aminophenyl)propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid

Systemtic Name: 4-[3-(4-aminophenyl)propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 4-[3-(4-aminophenyl)propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 4-[[3-(4-aminophenyl)-1-oxopropyl]amino]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 4-[3-(4-aminophenyl)propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 4-[3-(4-aminophenyl)propanoylamino]benzenesulfonyl fluoride; esylic acid Formula: C17H21FN2O6S2 MolecularWeight: 432.486843

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.C1=CC(=CC=C1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)F)N

Isomeric SMILES

CCS(=O)(=O)O.C1=CC(=CC=C1CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)F)N

InChI

InChI=1S/C15H15FN2O3S.C2H6O3S/c16-22(20,21)14-8-6-13(7-9-14)18-15(19)10-3-11-1-4-12(17)5-2-11;1-2-6(3,4)5/h1-2,4-9H,3,10,17H2,(H,18,19);2H2,1H3,(H,3,4,5)