5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(2-furylmethyl)-3-methyl-benzofuran-2-carboxamide CAS Name: 5-(1-azepanylsulfonyl)-N-(2-furanylmethyl)-3-methyl-2-benzofurancarboxamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-3-methyl-1-benzofuran-2-carboxamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(2-furfuryl)-3-methyl-coumarilamide Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CO4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H24N2O5S/c1-15-18-13-17(29(25,26)23-10-4-2-3-5-11-23)8-9-19(18)28-20(15)21(24)22-14-16-7-6-12-27-16/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,22,24)