N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(2,5-dimethyl-3-thienyl)-4-oxo-butanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(2,5-dimethyl-3-thienyl)-4-keto-butyramide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S2/c1-16-14-20(17(2)29-16)21(25)10-11-22(26)23-18-8-7-9-19(15-18)30(27,28)24-12-5-3-4-6-13-24/h7-9,14-15H,3-6,10-13H2,1-2H3,(H,23,26)