4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-1,4-oxazepan-5-one

Systemtic Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]-1,4-oxazepan-5-one Openeye Name: 4-[4-[[1-methyl-2-(4-methylsulfonylphenyl)ethyl]-propyl-amino]butyl]-1,4-oxazepan-5-one CAS Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-1,4-oxazepan-5-one IUPAC Name: 4-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-1,4-oxazepan-5-one Traditional Name: 4-[4-[[2-(4-mesylphenyl)-1-methyl-ethyl]-propyl-amino]butyl]-1,4-oxazepan-5-one Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1CCOCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCN(CCCCN1CCOCCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C22H36N2O4S/c1-4-12-23(13-5-6-14-24-15-17-28-16-11-22(24)25)19(2)18-20-7-9-21(10-8-20)29(3,26)27/h7-10,19H,4-6,11-18H2,1-3H3