N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(5-methyl-2-thienyl)-4-oxo-butanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(5-methyl-2-thiophenyl)-4-oxobutanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-keto-4-(5-methyl-2-thienyl)butyramide Formula: C22H28N2O5S2 MolecularWeight: 464.59812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H28N2O5S2/c1-16-7-11-21(30-16)19(25)9-12-22(26)23-18-15-17(8-10-20(18)29-2)31(27,28)24-13-5-3-4-6-14-24/h7-8,10-11,15H,3-6,9,12-14H2,1-2H3,(H,23,26)