1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]piperazin-2-one

Systemtic Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]piperazin-2-one Openeye Name: 1-[4-[[1-ethyl-2-methyl-3-(4-methylsulfonylphenyl)propyl]amino]butyl]piperazin-2-one CAS Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]-2-piperazinone IUPAC Name: 1-[4-[[2-methyl-1-(4-methylsulfonylphenyl)pentan-3-yl]amino]butyl]piperazin-2-one Traditional Name: 1-[4-[[1-ethyl-3-(4-mesylphenyl)-2-methyl-propyl]amino]butyl]piperazin-2-one Formula: C21H35N3O3S MolecularWeight: 409.5859

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCNCC2=O

Isomeric SMILES

CCC(C(C)CC1=CC=C(C=C1)S(=O)(=O)C)NCCCCN2CCNCC2=O

InChI

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