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

Systemtic Name: 4-[4-(4-azanyl-2-chloranyl-phenoxy)butylcarbamoyl]benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 4-[4-(4-amino-2-chloro-phenoxy)butylcarbamoyl]benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 4-[[4-(4-amino-2-chlorophenoxy)butylamino]-oxomethyl]benzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 4-[4-(4-amino-2-chlorophenoxy)butylcarbamoyl]benzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 4-[4-(4-amino-2-chloro-phenoxy)butylcarbamoyl]benzenesulfonyl fluoride; esylic acid Formula: C19H24ClFN2O7S2 MolecularWeight: 510.984463

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.C1=CC(=CC=C1C(=O)NCCCCOC2=C(C=C(C=C2)N)Cl)S(=O)(=O)F

Isomeric SMILES

CCS(=O)(=O)O.C1=CC(=CC=C1C(=O)NCCCCOC2=C(C=C(C=C2)N)Cl)S(=O)(=O)F

InChI

InChI=1S/C17H18ClFN2O4S.C2H6O3S/c18-15-11-13(20)5-8-16(15)25-10-2-1-9-21-17(22)12-3-6-14(7-4-12)26(19,23)24;1-2-6(3,4)5/h3-8,11H,1-2,9-10,20H2,(H,21,22);2H2,1H3,(H,3,4,5)