4-[3-(2-chloranyl-4-hexylsulfonyl-phenyl)-3-oxidanylidene-propyl]piperazin-2-one

Systemtic Name: 4-[3-(2-chloranyl-4-hexylsulfonyl-phenyl)-3-oxidanylidene-propyl]piperazin-2-one Openeye Name: 4-[3-(2-chloro-4-hexylsulfonyl-phenyl)-3-oxo-propyl]piperazin-2-one CAS Name: 4-[3-(2-chloro-4-hexylsulfonylphenyl)-3-oxopropyl]-2-piperazinone IUPAC Name: 4-[3-(2-chloro-4-hexylsulfonylphenyl)-3-oxopropyl]piperazin-2-one Traditional Name: 4-[3-(2-chloro-4-hexylsulfonyl-phenyl)-3-keto-propyl]piperazin-2-one Formula: C19H27ClN2O4S MolecularWeight: 414.94668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O4S/c1-2-3-4-5-12-27(25,26)15-6-7-16(17(20)13-15)18(23)8-10-22-11-9-21-19(24)14-22/h6-7,13H,2-5,8-12,14H2,1H3,(H,21,24)