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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propionamide Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C22H26N4O5S2/c1-30-18-9-8-16(33(28,29)26-12-4-2-3-5-13-26)15-17(18)23-20(27)10-11-21-24-22(25-31-21)19-7-6-14-32-19/h6-9,14-15H,2-5,10-13H2,1H3,(H,23,27)