[4-(1,3-dithiolan-2-yl)phenyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-fluorophenyl)sulfonyl-methylamino]acetic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C18H18FNO4S3 MolecularWeight: 427.533223

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC1=CC=C(C=C1)C2SCCS2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CC(=O)OC1=CC=C(C=C1)C2SCCS2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FNO4S3/c1-20(27(22,23)16-8-4-14(19)5-9-16)12-17(21)24-15-6-2-13(3-7-15)18-25-10-11-26-18/h2-9,18H,10-12H2,1H3