(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C24H24ClNO6S MolecularWeight: 489.96846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)C)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)C)Cl

InChI

InChI=1S/C24H24ClNO6S/c1-15-5-7-19-18(12-23(27)32-21(19)10-15)14-31-24(28)17-6-8-20(25)22(11-17)33(29,30)26-9-3-4-16(2)13-26/h5-8,10-12,16H,3-4,9,13-14H2,1-2H3