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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]aniline CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline Traditional Name: [5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]amine Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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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=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C20H24N4O4S2/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(23-28-19)18-7-6-12-29-18/h6-9,12-13,21H,2-5,10-11,14H2,1H3