[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)isoxazol-3-yl]methyl 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [5-(2-methyl-2,3-dihydrobenzofuran-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-3-yl]methyl 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [5-(2-methylcoumaran-5-yl)isoxazol-3-yl]methyl ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1CC2=C(O1)C=CC(=C2)C3=CC(=NO3)COC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C25H26N2O6S/c1-17-13-20-14-19(7-10-23(20)32-17)24-15-21(26-33-24)16-31-25(28)18-5-8-22(9-6-18)34(29,30)27-11-3-2-4-12-27/h5-10,14-15,17H,2-4,11-13,16H2,1H3