N-[1-[[1-(3-methoxyphenyl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[1-[[1-(3-methoxyphenyl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[1-[[1-(3-methoxyphenyl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]-3-methyl-butyl]benzofuran-2-carboxamide CAS Name: N-[1-[[1-(3-methoxyphenyl)sulfonyl-3-oxo-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[1-[[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[3-keto-1-(3-methoxyphenyl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]coumarilamide Formula: C28H33N3O7S MolecularWeight: 555.64252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC(=C2)OC)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=CC=CC(=C2)OC)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C28H33N3O7S/c1-18(2)14-23(30-28(34)26-15-19-8-4-5-12-25(19)38-26)27(33)29-22-11-7-13-31(17-24(22)32)39(35,36)21-10-6-9-20(16-21)37-3/h4-6,8-10,12,15-16,18,22-23H,7,11,13-14,17H2,1-3H3,(H,29,33)(H,30,34)