4-[3-(4-hexylsulfonyl-2,6-dimethyl-phenyl)-3-oxidanylidene-propyl]piperazin-2-one

Systemtic Name: 4-[3-(4-hexylsulfonyl-2,6-dimethyl-phenyl)-3-oxidanylidene-propyl]piperazin-2-one Openeye Name: 4-[3-(4-hexylsulfonyl-2,6-dimethyl-phenyl)-3-oxo-propyl]piperazin-2-one CAS Name: 4-[3-(4-hexylsulfonyl-2,6-dimethylphenyl)-3-oxopropyl]-2-piperazinone IUPAC Name: 4-[3-(4-hexylsulfonyl-2,6-dimethylphenyl)-3-oxopropyl]piperazin-2-one Traditional Name: 4-[3-(4-hexylsulfonyl-2,6-dimethyl-phenyl)-3-keto-propyl]piperazin-2-one Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)C1=CC(=C(C(=C1)C)C(=O)CCN2CCNC(=O)C2)C

Isomeric SMILES

CCCCCCS(=O)(=O)C1=CC(=C(C(=C1)C)C(=O)CCN2CCNC(=O)C2)C

InChI

InChI=1S/C21H32N2O4S/c1-4-5-6-7-12-28(26,27)18-13-16(2)21(17(3)14-18)19(24)8-10-23-11-9-22-20(25)15-23/h13-14H,4-12,15H2,1-3H3,(H,22,25)