5-(azepan-1-ylsulfonyl)-3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(3-pyridylmethyl)benzofuran-2-carboxamide CAS Name: 5-(1-azepanylsulfonyl)-3-methyl-N-(3-pyridinylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-2-carboxamide Traditional Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(3-pyridylmethyl)coumarilamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H25N3O4S/c1-16-19-13-18(30(27,28)25-11-4-2-3-5-12-25)8-9-20(19)29-21(16)22(26)24-15-17-7-6-10-23-14-17/h6-10,13-14H,2-5,11-12,15H2,1H3,(H,24,26)