5-[3-(4-azanyl-2-chloranyl-phenoxy)propylcarbamoyl]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid

Systemtic Name: 5-[3-(4-azanyl-2-chloranyl-phenoxy)propylcarbamoyl]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid Openeye Name: 5-[3-(4-amino-2-chloro-phenoxy)propylcarbamoyl]-2-methyl-benzenesulfonyl fluoride; ethanesulfonic acid CAS Name: 5-[[3-(4-amino-2-chlorophenoxy)propylamino]-oxomethyl]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid IUPAC Name: 5-[3-(4-amino-2-chlorophenoxy)propylcarbamoyl]-2-methylbenzenesulfonyl fluoride; ethanesulfonic acid Traditional Name: 5-[3-(4-amino-2-chloro-phenoxy)propylcarbamoyl]-2-methyl-benzenesulfonyl fluoride; esylic acid Formula: C19H24ClFN2O7S2 MolecularWeight: 510.984463

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1=C(C=C(C=C1)C(=O)NCCCOC2=C(C=C(C=C2)N)Cl)S(=O)(=O)F

Isomeric SMILES

CCS(=O)(=O)O.CC1=C(C=C(C=C1)C(=O)NCCCOC2=C(C=C(C=C2)N)Cl)S(=O)(=O)F

InChI

InChI=1S/C17H18ClFN2O4S.C2H6O3S/c1-11-3-4-12(9-16(11)26(19,23)24)17(22)21-7-2-8-25-15-6-5-13(20)10-14(15)18;1-2-6(3,4)5/h3-6,9-10H,2,7-8,20H2,1H3,(H,21,22);2H2,1H3,(H,3,4,5)