N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-bromo-furan-2-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-5-bromofuran-2-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-5-bromo-2-furamide Formula: C18H21BrN2O5S MolecularWeight: 457.33874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C18H21BrN2O5S/c1-25-15-7-6-13(27(23,24)21-10-4-2-3-5-11-21)12-14(15)20-18(22)16-8-9-17(19)26-16/h6-9,12H,2-5,10-11H2,1H3,(H,20,22)