4-methylsulfonyl-2-(phenylcarbonyl)-3-piperidin-1-yl-cyclobut-2-en-1-one

Systemtic Name: 4-methylsulfonyl-2-(phenylcarbonyl)-3-piperidin-1-yl-cyclobut-2-en-1-one Openeye Name: 2-benzoyl-4-methylsulfonyl-3-(1-piperidyl)cyclobut-2-en-1-one CAS Name: 2-benzoyl-4-methylsulfonyl-3-(1-piperidinyl)-1-cyclobut-2-enone IUPAC Name: 2-benzoyl-4-methylsulfonyl-3-piperidin-1-ylcyclobut-2-en-1-one Traditional Name: 2-benzoyl-4-mesyl-3-piperidino-cyclobut-2-en-1-one Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1C(=C(C1=O)C(=O)C2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1C(=C(C1=O)C(=O)C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C17H19NO4S/c1-23(21,22)17-14(18-10-6-3-7-11-18)13(16(17)20)15(19)12-8-4-2-5-9-12/h2,4-5,8-9,17H,3,6-7,10-11H2,1H3