ethyl 2-chloranyl-3-(4-cyclohexyl-3-methylsulfonyl-5-nitro-phenyl)propanoate

Systemtic Name: ethyl 2-chloranyl-3-(4-cyclohexyl-3-methylsulfonyl-5-nitro-phenyl)propanoate Openeye Name: ethyl 2-chloro-3-(4-cyclohexyl-3-methylsulfonyl-5-nitro-phenyl)propanoate CAS Name: 2-chloro-3-(4-cyclohexyl-3-methylsulfonyl-5-nitrophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-chloro-3-(4-cyclohexyl-3-methylsulfonyl-5-nitrophenyl)propanoate Traditional Name: 2-chloro-3-(4-cyclohexyl-3-mesyl-5-nitro-phenyl)propionic acid ethyl ester Formula: C18H24ClNO6S MolecularWeight: 417.90426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=C(C(=C1)S(=O)(=O)C)C2CCCCC2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC(=C(C(=C1)S(=O)(=O)C)C2CCCCC2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H24ClNO6S/c1-3-26-18(21)14(19)9-12-10-15(20(22)23)17(13-7-5-4-6-8-13)16(11-12)27(2,24)25/h10-11,13-14H,3-9H2,1-2H3