(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H22ClNO6S MolecularWeight: 475.94188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C23H22ClNO6S/c1-15-10-21-19(13-20(15)24)17(12-22(26)31-21)14-30-23(27)16-6-5-7-18(11-16)32(28,29)25-8-3-2-4-9-25/h5-7,10-13H,2-4,8-9,14H2,1H3