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

Systemtic Name: 2-methyl-N-[[7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide Openeye Name: 2-methyl-N-[[7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]butanamide CAS Name: 2-methyl-N-[[7-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]butanamide IUPAC Name: 2-methyl-N-[[7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]butanamide Traditional Name: N-[[7-(4-mesylphenyl)coumaran-2-yl]methyl]-2-methyl-butyramide Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NCC1CC2=CC=CC(=C2O1)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC(C)C(=O)NCC1CC2=CC=CC(=C2O1)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25NO4S/c1-4-14(2)21(23)22-13-17-12-16-6-5-7-19(20(16)26-17)15-8-10-18(11-9-15)27(3,24)25/h5-11,14,17H,4,12-13H2,1-3H3,(H,22,23)