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

Systemtic Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-methylsulfonyl-piperazin-2-one Openeye Name: 1-[4-[ethyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]-4-methylsulfonyl-piperazin-2-one CAS Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-methylsulfonyl-2-piperazinone IUPAC Name: 1-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-4-methylsulfonylpiperazin-2-one Traditional Name: 1-[4-[ethyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]-4-mesyl-piperazin-2-one Formula: C21H35N3O5S2 MolecularWeight: 473.6497

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCN(CC1=O)S(=O)(=O)C)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCN(CCCCN1CCN(CC1=O)S(=O)(=O)C)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C21H35N3O5S2/c1-5-22(18(2)16-19-8-10-20(11-9-19)30(3,26)27)12-6-7-13-23-14-15-24(17-21(23)25)31(4,28)29/h8-11,18H,5-7,12-17H2,1-4H3