1-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]piperazin-2-one

Systemtic Name: 1-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propyl-amino]butyl]piperazin-2-one Openeye Name: 1-[4-[[1-methyl-2-(4-methylsulfonylphenyl)ethyl]-propyl-amino]butyl]piperazin-2-one CAS Name: 1-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]-2-piperazinone IUPAC Name: 1-[4-[1-(4-methylsulfonylphenyl)propan-2-yl-propylamino]butyl]piperazin-2-one Traditional Name: 1-[4-[[2-(4-mesylphenyl)-1-methyl-ethyl]-propyl-amino]butyl]piperazin-2-one Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCCN1CCNCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCN(CCCCN1CCNCC1=O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C21H35N3O3S/c1-4-12-23(13-5-6-14-24-15-11-22-17-21(24)25)18(2)16-19-7-9-20(10-8-19)28(3,26)27/h7-10,18,22H,4-6,11-17H2,1-3H3