methyl 2-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamoyl]benzoate

Systemtic Name: methyl 2-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamoyl]benzoate Openeye Name: methyl 2-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methylcarbamoyl]benzoate CAS Name: 2-[[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamoyl]benzoate Traditional Name: 2-[[(2R)-5-(4-mesylphenyl)coumaran-2-yl]methylcarbamoyl]benzoic acid methyl ester Formula: C25H23NO6S MolecularWeight: 465.51822

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)NCC2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)NC[C@H]2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C25H23NO6S/c1-31-25(28)22-6-4-3-5-21(22)24(27)26-15-19-14-18-13-17(9-12-23(18)32-19)16-7-10-20(11-8-16)33(2,29)30/h3-13,19H,14-15H2,1-2H3,(H,26,27)/t19-/m1/s1