methyl 4-chloranyl-3-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C17H16ClFN2O5S MolecularWeight: 414.835743

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CN(CC(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H16ClFN2O5S/c1-21(27(24,25)13-6-4-12(19)5-7-13)10-16(22)20-15-9-11(17(23)26-2)3-8-14(15)18/h3-9H,10H2,1-2H3,(H,20,22)