2-(2-chloroethylsulfanyl)ethyl 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate

Systemtic Name: 2-(2-chloroethylsulfanyl)ethyl 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: 2-(2-chloroethylsulfanyl)ethyl 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate CAS Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid 2-(2-chloroethylthio)ethyl ester IUPAC Name: 2-(2-chloroethylsulfanyl)ethyl 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Traditional Name: 4-amino-3-bromo-5-[[cyclohexyl(ethyl)amino]methyl]benzoic acid 2-(2-chloroethylthio)ethyl ester Formula: C20H30BrClN2O2S MolecularWeight: 477.8864

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C(=CC(=C1)C(=O)OCCSCCCl)Br)N)C2CCCCC2

Isomeric SMILES

CCN(CC1=C(C(=CC(=C1)C(=O)OCCSCCCl)Br)N)C2CCCCC2

InChI

InChI=1S/C20H30BrClN2O2S/c1-2-24(17-6-4-3-5-7-17)14-16-12-15(13-18(21)19(16)23)20(25)26-9-11-27-10-8-22/h12-13,17H,2-11,14,23H2,1H3