N-[[7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(pyrazol-1-ylmethyl)benzamide

Systemtic Name: N-[[7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(pyrazol-1-ylmethyl)benzamide Openeye Name: N-[[7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(pyrazol-1-ylmethyl)benzamide CAS Name: N-[[7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-(1-pyrazolylmethyl)benzamide IUPAC Name: N-[[7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(pyrazol-1-ylmethyl)benzamide Traditional Name: N-[[7-(4-mesylphenyl)coumaran-2-yl]methyl]-3-(pyrazol-1-ylmethyl)benzamide Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C3C(=CC=C2)CC(O3)CNC(=O)C4=CC(=CC=C4)CN5C=CC=N5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C3C(=CC=C2)CC(O3)CNC(=O)C4=CC(=CC=C4)CN5C=CC=N5

InChI

InChI=1S/C27H25N3O4S/c1-35(32,33)24-11-9-20(10-12-24)25-8-3-6-21-16-23(34-26(21)25)17-28-27(31)22-7-2-5-19(15-22)18-30-14-4-13-29-30/h2-15,23H,16-18H2,1H3,(H,28,31)