N-[1-[[1-(4-chlorophenyl)sulfonyl-3-oxidanyl-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[1-[[1-(4-chlorophenyl)sulfonyl-3-oxidanyl-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[1-[[1-(4-chlorophenyl)sulfonyl-3-hydroxy-azepan-4-yl]carbamoyl]-3-methyl-butyl]benzofuran-2-carboxamide CAS Name: N-[1-[[1-(4-chlorophenyl)sulfonyl-3-hydroxy-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[1-[[1-(4-chlorophenyl)sulfonyl-3-hydroxyazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-[[1-(4-chlorophenyl)sulfonyl-3-hydroxy-azepan-4-yl]carbamoyl]-3-methyl-butyl]coumarilamide Formula: C27H32ClN3O6S MolecularWeight: 562.07748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1O)S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CC(C(=O)NC1CCCN(CC1O)S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C27H32ClN3O6S/c1-17(2)14-22(30-27(34)25-15-18-6-3-4-8-24(18)37-25)26(33)29-21-7-5-13-31(16-23(21)32)38(35,36)20-11-9-19(28)10-12-20/h3-4,6,8-12,15,17,21-23,32H,5,7,13-14,16H2,1-2H3,(H,29,33)(H,30,34)