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

Systemtic Name: 2-(2-hydroxyethylsulfanyl)ethyl 4-azanyl-3-bromanyl-5-[[cyclohexyl(ethyl)amino]methyl]benzoate Openeye Name: 2-(2-hydroxyethylsulfanyl)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-hydroxyethylthio)ethyl ester IUPAC Name: 2-(2-hydroxyethylsulfanyl)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-hydroxyethylthio)ethyl ester Formula: C20H31BrN2O3S MolecularWeight: 459.44074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31BrN2O3S/c1-2-23(17-6-4-3-5-7-17)14-16-12-15(13-18(21)19(16)22)20(25)26-9-11-27-10-8-24/h12-13,17,24H,2-11,14,22H2,1H3