5-(azepan-1-ylsulfonyl)-N-(phenylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(phenylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-benzyl-benzofuran-2-carboxamide CAS Name: 5-(1-azepanylsulfonyl)-N-(phenylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-benzyl-1-benzofuran-2-carboxamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-benzyl-coumarilamide Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O4S/c25-22(23-16-17-8-4-3-5-9-17)21-15-18-14-19(10-11-20(18)28-21)29(26,27)24-12-6-1-2-7-13-24/h3-5,8-11,14-15H,1-2,6-7,12-13,16H2,(H,23,25)