2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-[[4-(methylsulfamoyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxidanylidene-azepan-1-yl]-N-[[4-(methylsulfamoyl)phenyl]methyl]ethanamide Openeye Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-oxo-azepan-1-yl]-N-[[4-(methylsulfamoyl)phenyl]methyl]acetamide CAS Name: 2-[3-[[(cyanoamino)-[(2-methyl-5-benzofuranyl)amino]methylidene]amino]-2-oxo-1-azepanyl]-N-[[4-(methylsulfamoyl)phenyl]methyl]acetamide IUPAC Name: 2-[3-[[(cyanoamino)-[(2-methyl-1-benzofuran-5-yl)amino]methylidene]amino]-2-oxoazepan-1-yl]-N-[[4-(methylsulfamoyl)phenyl]methyl]acetamide Traditional Name: 2-[3-[[(cyanoamino)-[(2-methylbenzofuran-5-yl)amino]methylene]amino]-2-keto-azepan-1-yl]-N-[4-(methylsulfamoyl)benzyl]acetamide Formula: C27H31N7O5S MolecularWeight: 565.64394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)NCC4=CC=C(C=C4)S(=O)(=O)NC)NC#N

Isomeric SMILES

CC1=CC2=C(O1)C=CC(=C2)NC(=NC3CCCCN(C3=O)CC(=O)NCC4=CC=C(C=C4)S(=O)(=O)NC)NC#N

InChI

InChI=1S/C27H31N7O5S/c1-18-13-20-14-21(8-11-24(20)39-18)32-27(31-17-28)33-23-5-3-4-12-34(26(23)36)16-25(35)30-15-19-6-9-22(10-7-19)40(37,38)29-2/h6-11,13-14,23,29H,3-5,12,15-16H2,1-2H3,(H,30,35)(H2,31,32,33)