N-[1-[[1-(3-methoxyphenyl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-methyl-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]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[1-[[1-(3-methoxyphenyl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]-3-methyl-butyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[1-[[1-(3-methoxyphenyl)sulfonyl-3-oxo-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[1-[[1-(3-methoxyphenyl)sulfonyl-3-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[3-keto-1-(3-methoxyphenyl)sulfonyl-azepan-4-yl]carbamoyl]-3-methyl-butyl]-3-methyl-coumarilamide Formula: C29H35N3O7S MolecularWeight: 569.6691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(CC(C)C)C(=O)NC3CCCN(CC3=O)S(=O)(=O)C4=CC=CC(=C4)OC

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(CC(C)C)C(=O)NC3CCCN(CC3=O)S(=O)(=O)C4=CC=CC(=C4)OC

InChI

InChI=1S/C29H35N3O7S/c1-18(2)15-24(31-29(35)27-19(3)22-11-5-6-13-26(22)39-27)28(34)30-23-12-8-14-32(17-25(23)33)40(36,37)21-10-7-9-20(16-21)38-4/h5-7,9-11,13,16,18,23-24H,8,12,14-15,17H2,1-4H3,(H,30,34)(H,31,35)