N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]coumarilamide Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H29N3O5S/c29-25(24-17-19-7-3-4-8-23(19)33-24)26-21-18-20(34(30,31)28-13-15-32-16-14-28)9-10-22(21)27-11-5-1-2-6-12-27/h3-4,7-10,17-18H,1-2,5-6,11-16H2,(H,26,29)