N-(4-methoxyphenyl)-2-[[5-[(3S)-1-methylsulfonylpiperidin-3-yl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[[5-[(3S)-1-methylsulfonylpiperidin-3-yl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[[5-[(3S)-1-methylsulfonyl-3-piperidyl]-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-methoxyphenyl)-2-[[5-[(3S)-1-methylsulfonyl-3-piperidinyl]-4-[[(2S)-2-oxolanyl]methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[[5-[(3S)-1-methylsulfonylpiperidin-3-yl]-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(3S)-1-mesyl-3-piperidyl]-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)acetamide Formula: C22H31N5O5S2 MolecularWeight: 509.64204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC3CCCO3)C4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C[C@@H]3CCCO3)[C@H]4CCCN(C4)S(=O)(=O)C

InChI

InChI=1S/C22H31N5O5S2/c1-31-18-9-7-17(8-10-18)23-20(28)15-33-22-25-24-21(27(22)14-19-6-4-12-32-19)16-5-3-11-26(13-16)34(2,29)30/h7-10,16,19H,3-6,11-15H2,1-2H3,(H,23,28)/t16-,19-/m0/s1