(2-chloranyl-6-fluoranyl-phenyl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid (2-chloro-6-fluoro-benzyl) ester Formula: C18H18ClFN2O5S MolecularWeight: 428.862323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C18H18ClFN2O5S/c1-12(23)21-13-6-8-14(9-7-13)28(25,26)22(2)10-18(24)27-11-15-16(19)4-3-5-17(15)20/h3-9H,10-11H2,1-2H3,(H,21,23)