methyl 6-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonylamino]hexanoate Openeye Name: methyl 6-[[2-(4-chlorophenyl)sulfanyl-5-nitro-benzoyl]amino]hexanoate CAS Name: 6-[[[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(4-chlorophenyl)sulfanyl-5-nitrobenzoyl]amino]hexanoate Traditional Name: 6-[[2-[(4-chlorophenyl)thio]-5-nitro-benzoyl]amino]hexanoic acid methyl ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN2O5S/c1-28-19(24)5-3-2-4-12-22-20(25)17-13-15(23(26)27)8-11-18(17)29-16-9-6-14(21)7-10-16/h6-11,13H,2-5,12H2,1H3,(H,22,25)