(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-piperidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-piperidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 3-(1-piperidylsulfonyl)thiophene-2-carboxylate CAS Name: 3-(1-piperidinylsulfonyl)-2-thiophenecarboxylic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-piperidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-piperidinosulfonylthiophene-2-carboxylic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22N2O5S2/c1-15-17(22-20(28-15)16-8-4-2-5-9-16)14-27-21(24)19-18(10-13-29-19)30(25,26)23-11-6-3-7-12-23/h2,4-5,8-10,13H,3,6-7,11-12,14H2,1H3