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

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

Systemtic Name:4-[4-(3-aminophenyl)butyl]benzenesulfonyl fluoride; ethanesulfonic acid
Openeye Name:4-[4-(3-aminophenyl)butyl]benzenesulfonyl fluoride; ethanesulfonic acid
CAS Name:4-[4-(3-aminophenyl)butyl]benzenesulfonyl fluoride; ethanesulfonic acid
IUPAC Name:4-[4-(3-aminophenyl)butyl]benzenesulfonyl fluoride; ethanesulfonic acid
Traditional Name:4-[4-(3-aminophenyl)butyl]benzenesulfonyl fluoride; esylic acid
Formula: C18H24FNO5S2
MolecularWeight: 417.515263
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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.C1=CC(=CC(=C1)N)CCCCC2=CC=C(C=C2)S(=O)(=O)F


Isomeric SMILES

CCS(=O)(=O)O.C1=CC(=CC(=C1)N)CCCCC2=CC=C(C=C2)S(=O)(=O)F


InChI

InChI=1S/C16H18FNO2S.C2H6O3S/c17-21(19,20)16-10-8-13(9-11-16)4-1-2-5-14-6-3-7-15(18)12-14;1-2-6(3,4)5/h3,6-12H,1-2,4-5,18H2;2H2,1H3,(H,3,4,5)


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