N-[4-methyl-1-oxidanylidene-1-[(3-oxidanyl-1-pyridin-2-ylsulfonyl-3-sulfanyl-4,5-dihydro-2H-azepin-4-yl)amino]pentan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-methyl-1-oxidanylidene-1-[(3-oxidanyl-1-pyridin-2-ylsulfonyl-3-sulfanyl-4,5-dihydro-2H-azepin-4-yl)amino]pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[1-[[3-hydroxy-1-(2-pyridylsulfonyl)-3-sulfanyl-4,5-dihydro-2H-azepin-4-yl]carbamoyl]-3-methyl-butyl]benzofuran-2-carboxamide CAS Name: N-[1-[[3-hydroxy-3-mercapto-1-(2-pyridinylsulfonyl)-4,5-dihydro-2H-azepin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[1-[(3-hydroxy-1-pyridin-2-ylsulfonyl-3-sulfanyl-4,5-dihydro-2H-azepin-4-yl)amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[3-hydroxy-3-mercapto-1-(2-pyridylsulfonyl)-4,5-dihydro-2H-azepin-4-yl]carbamoyl]-3-methyl-butyl]coumarilamide Formula: C26H30N4O6S2 MolecularWeight: 558.6696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CC=CN(CC1(O)S)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CC(C(=O)NC1CC=CN(CC1(O)S)S(=O)(=O)C2=CC=CC=N2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C26H30N4O6S2/c1-17(2)14-19(28-25(32)21-15-18-8-3-4-9-20(18)36-21)24(31)29-22-10-7-13-30(16-26(22,33)37)38(34,35)23-11-5-6-12-27-23/h3-9,11-13,15,17,19,22,33,37H,10,14,16H2,1-2H3,(H,28,32)(H,29,31)