N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-chloranyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-chloranyl-1-benzofuran-2-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-chloro-benzofuran-2-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-5-chloro-2-benzofurancarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-chloro-1-benzofuran-2-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-chloro-coumarilamide Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H23ClN2O5S/c1-29-20-9-7-17(31(27,28)25-10-4-2-3-5-11-25)14-18(20)24-22(26)21-13-15-12-16(23)6-8-19(15)30-21/h6-9,12-14H,2-5,10-11H2,1H3,(H,24,26)