3-methylsulfonylpropyl 8-[2-azanyl-4-(4-cyanophenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate

Systemtic Name: 3-methylsulfonylpropyl 8-[2-azanyl-4-(4-cyanophenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate Openeye Name: 3-methylsulfonylpropyl 8-[2-amino-4-(4-cyanophenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate CAS Name: 8-[2-amino-4-(4-cyanophenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid 3-methylsulfonylpropyl ester IUPAC Name: 3-methylsulfonylpropyl 8-[2-amino-4-(4-cyanophenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate Traditional Name: 8-[2-amino-4-(4-cyanophenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid 3-mesylpropyl ester Formula: C22H32N4O5S MolecularWeight: 464.57828

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCOC(=O)N1CC2CCC(C1)N2CC(CCOC3=CC=C(C=C3)C#N)N

Isomeric SMILES

CS(=O)(=O)CCCOC(=O)N1CC2CCC(C1)N2CC(CCOC3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C22H32N4O5S/c1-32(28,29)12-2-10-31-22(27)25-15-19-5-6-20(16-25)26(19)14-18(24)9-11-30-21-7-3-17(13-23)4-8-21/h3-4,7-8,18-20H,2,5-6,9-12,14-16,24H2,1H3