N-[3-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-(1H-1,2,4-triazol-5-ylsulfonyl)azepan-4-yl]amino]butan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[3-methyl-1-oxidanylidene-1-[[3-oxidanylidene-1-(1H-1,2,4-triazol-5-ylsulfonyl)azepan-4-yl]amino]butan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-1-[[3-oxo-1-(1H-1,2,4-triazol-5-ylsulfonyl)azepan-4-yl]carbamoyl]propyl]benzofuran-2-carboxamide CAS Name: N-[3-methyl-1-oxo-1-[[3-oxo-1-(1H-1,2,4-triazol-5-ylsulfonyl)-4-azepanyl]amino]butan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[3-methyl-1-oxo-1-[[3-oxo-1-(1H-1,2,4-triazol-5-ylsulfonyl)azepan-4-yl]amino]butan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[3-keto-1-(1H-1,2,4-triazol-5-ylsulfonyl)azepan-4-yl]carbamoyl]-2-methyl-propyl]coumarilamide Formula: C22H26N6O6S MolecularWeight: 502.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=NC=NN2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=NC=NN2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H26N6O6S/c1-13(2)19(26-20(30)18-10-14-6-3-4-8-17(14)34-18)21(31)25-15-7-5-9-28(11-16(15)29)35(32,33)22-23-12-24-27-22/h3-4,6,8,10,12-13,15,19H,5,7,9,11H2,1-2H3,(H,25,31)(H,26,30)(H,23,24,27)