5-(azepan-1-ylsulfonyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-aniline

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-aniline Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-aniline CAS Name: 5-(1-azepanylsulfonyl)-N-[[3-(2-furanyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyaniline IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyaniline Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[[3-(2-furyl)-1,2,4-oxadiazol-5-yl]methyl]amine Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC3=NC(=NO3)C4=CC=CO4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC3=NC(=NO3)C4=CC=CO4

InChI

InChI=1S/C20H24N4O5S/c1-27-17-9-8-15(30(25,26)24-10-4-2-3-5-11-24)13-16(17)21-14-19-22-20(23-29-19)18-7-6-12-28-18/h6-9,12-13,21H,2-5,10-11,14H2,1H3