3-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,3-oxazocan-2-one

Systemtic Name: 3-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,3-oxazocan-2-one Openeye Name: 3-[4-[ethyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]-1,3-oxazocan-2-one CAS Name: 3-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,3-oxazocan-2-one IUPAC Name: 3-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-1,3-oxazocan-2-one Traditional Name: 3-[4-[ethyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]-1,3-oxazocan-2-one Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCCCCOC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCN(CCCCN1CCCCCOC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C22H36N2O4S/c1-4-23(14-7-8-16-24-15-6-5-9-17-28-22(24)25)19(2)18-20-10-12-21(13-11-20)29(3,26)27/h10-13,19H,4-9,14-18H2,1-3H3