methyl 2-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-chromene-6-carboxylate

Systemtic Name: methyl 2-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-chromene-6-carboxylate Openeye Name: methyl 3-[(4-benzyl-1-piperidyl)sulfonyl]-2-oxo-chromene-6-carboxylate CAS Name: 2-oxo-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-benzylpiperidin-1-yl)sulfonyl-2-oxochromene-6-carboxylate Traditional Name: 3-(4-benzylpiperidino)sulfonyl-2-keto-chromene-6-carboxylic acid methyl ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23NO6S/c1-29-22(25)18-7-8-20-19(14-18)15-21(23(26)30-20)31(27,28)24-11-9-17(10-12-24)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13H2,1H3