5-methyl-N-(2-methylpropyl)-1-[(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: 5-methyl-N-(2-methylpropyl)-1-[(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-isobutyl-5-methyl-1-[(5-methylsulfonyl-2-phenyl-benzofuran-7-yl)methyl]pyrazole-3-carboxamide CAS Name: 5-methyl-N-(2-methylpropyl)-1-[(5-methylsulfonyl-2-phenyl-7-benzofuranyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 5-methyl-N-(2-methylpropyl)-1-[(5-methylsulfonyl-2-phenyl-1-benzofuran-7-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-isobutyl-1-[(5-mesyl-2-phenyl-benzofuran-7-yl)methyl]-5-methyl-pyrazole-3-carboxamide Formula: C25H27N3O4S MolecularWeight: 465.56458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=C3C(=CC(=C2)S(=O)(=O)C)C=C(O3)C4=CC=CC=C4)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC(=NN1CC2=C3C(=CC(=C2)S(=O)(=O)C)C=C(O3)C4=CC=CC=C4)C(=O)NCC(C)C

InChI

InChI=1S/C25H27N3O4S/c1-16(2)14-26-25(29)22-10-17(3)28(27-22)15-20-12-21(33(4,30)31)11-19-13-23(32-24(19)20)18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3,(H,26,29)