2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(3-cyanothiophen-2-yl)ethanamide

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(3-cyano-2-thienyl)acetamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C20H24N4O4S2/c1-28-18-7-6-16(30(26,27)24-9-4-2-3-5-10-24)12-17(18)22-14-19(25)23-20-15(13-21)8-11-29-20/h6-8,11-12,22H,2-5,9-10,14H2,1H3,(H,23,25)