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

Systemtic Name: N-[3-methyl-1-[[1-(1-methylimidazol-2-yl)sulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-butan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-1-[[1-(1-methylimidazol-2-yl)sulfonyl-3-oxo-azepan-4-yl]carbamoyl]propyl]benzofuran-2-carboxamide CAS Name: N-[3-methyl-1-[[1-[(1-methyl-2-imidazolyl)sulfonyl]-3-oxo-4-azepanyl]amino]-1-oxobutan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[3-methyl-1-[[1-(1-methylimidazol-2-yl)sulfonyl-3-oxoazepan-4-yl]amino]-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[3-keto-1-(1-methylimidazol-2-yl)sulfonyl-azepan-4-yl]carbamoyl]-2-methyl-propyl]coumarilamide Formula: C24H29N5O6S MolecularWeight: 515.58196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=NC=CN2C)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C(C(=O)NC1CCCN(CC1=O)S(=O)(=O)C2=NC=CN2C)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C24H29N5O6S/c1-15(2)21(27-22(31)20-13-16-7-4-5-9-19(16)35-20)23(32)26-17-8-6-11-29(14-18(17)30)36(33,34)24-25-10-12-28(24)3/h4-5,7,9-10,12-13,15,17,21H,6,8,11,14H2,1-3H3,(H,26,32)(H,27,31)