[4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

Systemtic Name: [4-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone Openeye Name: [4-[4-methyl-3-(1-piperidylsulfonyl)benzoyl]piperazin-1-yl]-[(2R)-tetrahydrofuran-2-yl]methanone CAS Name: [4-[[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-1-piperazinyl]-[(2R)-2-oxolanyl]methanone IUPAC Name: [4-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone Traditional Name: [4-(4-methyl-3-piperidinosulfonyl-benzoyl)piperazino]-[(2R)-tetrahydrofuran-2-yl]methanone Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CCCO3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)[C@H]3CCCO3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H31N3O5S/c1-17-7-8-18(16-20(17)31(28,29)25-9-3-2-4-10-25)21(26)23-11-13-24(14-12-23)22(27)19-6-5-15-30-19/h7-8,16,19H,2-6,9-15H2,1H3/t19-/m1/s1