(2-methyl-6-oxidanylidene-pyran-4-yl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-methyl-6-oxidanylidene-pyran-4-yl) 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-methyl-6-oxo-pyran-4-yl) 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid (2-methyl-6-oxo-4-pyranyl) ester IUPAC Name: (2-methyl-6-oxopyran-4-yl) 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid (2-keto-6-methyl-pyran-4-yl) ester Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=O)O1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC(=O)O1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H18ClNO6S/c1-12-9-14(11-17(21)25-12)26-18(22)13-5-6-15(19)16(10-13)27(23,24)20-7-3-2-4-8-20/h5-6,9-11H,2-4,7-8H2,1H3