methyl 4-[2-(3-methylbut-2-enoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoate

Systemtic Name: methyl 4-[2-(3-methylbut-2-enoylamino)-4-piperidin-1-ylsulfonyl-phenoxy]benzoate Openeye Name: methyl 4-[2-(3-methylbut-2-enoylamino)-4-(1-piperidylsulfonyl)phenoxy]benzoate CAS Name: 4-[2-[(3-methyl-1-oxobut-2-enyl)amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(3-methylbut-2-enoylamino)-4-piperidin-1-ylsulfonylphenoxy]benzoate Traditional Name: 4-[2-(3-methylbut-2-enoylamino)-4-piperidinosulfonyl-phenoxy]benzoic acid methyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C24H28N2O6S/c1-17(2)15-23(27)25-21-16-20(33(29,30)26-13-5-4-6-14-26)11-12-22(21)32-19-9-7-18(8-10-19)24(28)31-3/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,27)