[6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxidanylidene-pyran-3-yl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [6-[(4-methylthiazol-2-yl)sulfanylmethyl]-4-oxo-pyran-3-yl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [6-[[(4-methyl-2-thiazolyl)thio]methyl]-4-oxo-3-pyranyl] ester IUPAC Name: [6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [4-keto-6-[[(4-methylthiazol-2-yl)thio]methyl]pyran-3-yl] ester Formula: C22H22N2O6S3 MolecularWeight: 506.61488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H22N2O6S3/c1-15-13-31-22(23-15)32-14-17-11-19(25)20(12-29-17)30-21(26)16-5-7-18(8-6-16)33(27,28)24-9-3-2-4-10-24/h5-8,11-13H,2-4,9-10,14H2,1H3