2-(2-hydroxyethylsulfanyl)ethyl 4-azanyl-3-bromanyl-5-(piperidin-1-ylmethyl)benzoate

Systemtic Name: 2-(2-hydroxyethylsulfanyl)ethyl 4-azanyl-3-bromanyl-5-(piperidin-1-ylmethyl)benzoate Openeye Name: 2-(2-hydroxyethylsulfanyl)ethyl 4-amino-3-bromo-5-(1-piperidylmethyl)benzoate CAS Name: 4-amino-3-bromo-5-(1-piperidinylmethyl)benzoic acid 2-(2-hydroxyethylthio)ethyl ester IUPAC Name: 2-(2-hydroxyethylsulfanyl)ethyl 4-amino-3-bromo-5-(piperidin-1-ylmethyl)benzoate Traditional Name: 4-amino-3-bromo-5-(piperidinomethyl)benzoic acid 2-(2-hydroxyethylthio)ethyl ester Formula: C17H25BrN2O3S MolecularWeight: 417.361

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C(=CC(=C2)C(=O)OCCSCCO)Br)N

Isomeric SMILES

C1CCN(CC1)CC2=C(C(=CC(=C2)C(=O)OCCSCCO)Br)N

InChI

InChI=1S/C17H25BrN2O3S/c18-15-11-13(17(22)23-7-9-24-8-6-21)10-14(16(15)19)12-20-4-2-1-3-5-20/h10-11,21H,1-9,12,19H2