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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(phenylmethyl)-1-benzofuran-2-carboxamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-benzyl-3-methyl-benzofuran-2-carboxamide CAS Name: 5-(1-azepanylsulfonyl)-3-methyl-N-(phenylmethyl)-2-benzofurancarboxamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-benzyl-3-methyl-1-benzofuran-2-carboxamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-benzyl-3-methyl-coumarilamide Formula: C23H26N2O4S MolecularWeight: 426.52854

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-17-20-15-19(30(27,28)25-13-7-2-3-8-14-25)11-12-21(20)29-22(17)23(26)24-16-18-9-5-4-6-10-18/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3,(H,24,26)