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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(3-phenylpropyl)-1-benzofuran-2-carboxamide Openeye Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(3-phenylpropyl)benzofuran-2-carboxamide CAS Name: 5-(1-azepanylsulfonyl)-3-methyl-N-(3-phenylpropyl)-2-benzofurancarboxamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(3-phenylpropyl)-1-benzofuran-2-carboxamide Traditional Name: 5-(azepan-1-ylsulfonyl)-3-methyl-N-(3-phenylpropyl)coumarilamide Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C25H30N2O4S/c1-19-22-18-21(32(29,30)27-16-7-2-3-8-17-27)13-14-23(22)31-24(19)25(28)26-15-9-12-20-10-5-4-6-11-20/h4-6,10-11,13-14,18H,2-3,7-9,12,15-17H2,1H3,(H,26,28)