N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2,3-dihydro-1,4-dioxin-5-carboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2,3-dihydro-p-dioxin-5-carboxamide Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=COCCO3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=COCCO3

InChI

InChI=1S/C18H24N2O6S/c1-24-16-7-6-14(27(22,23)20-8-4-2-3-5-9-20)12-15(16)19-18(21)17-13-25-10-11-26-17/h6-7,12-13H,2-5,8-11H2,1H3,(H,19,21)