(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H22N2O5S2/c1-15-7-8-17(30(25,26)23-9-3-2-4-10-23)12-18(15)21(24)28-14-16-13-27-20(22-16)19-6-5-11-29-19/h5-8,11-13H,2-4,9-10,14H2,1H3