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

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

Systemtic Name:3-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propan-2-yl-amino]butyl]-1,3-oxazepan-2-one
Openeye Name:3-[4-[isopropyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]-1,3-oxazepan-2-one
CAS Name:3-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propan-2-ylamino]butyl]-1,3-oxazepan-2-one
IUPAC Name:3-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propan-2-ylamino]butyl]-1,3-oxazepan-2-one
Traditional Name:3-[4-[isopropyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]-1,3-oxazepan-2-one
Formula: C22H36N2O4S
MolecularWeight: 424.59724
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCCN1CCCCOC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C


Isomeric SMILES

CC(C)N(CCCCN1CCCCOC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C


InChI

InChI=1S/C22H36N2O4S/c1-18(2)24(15-6-5-13-23-14-7-8-16-28-22(23)25)19(3)17-20-9-11-21(12-10-20)29(4,26)27/h9-12,18-19H,5-8,13-17H2,1-4H3


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