5-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-3-methyl-benzofuran-2-carboxamide CAS Name: 5-(1-azepanylsulfonyl)-N-[(4-fluorophenyl)methyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-fluorobenzyl)-3-methyl-coumarilamide Formula: C23H25FN2O4S MolecularWeight: 444.519003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O4S/c1-16-20-14-19(31(28,29)26-12-4-2-3-5-13-26)10-11-21(20)30-22(16)23(27)25-15-17-6-8-18(24)9-7-17/h6-11,14H,2-5,12-13,15H2,1H3,(H,25,27)