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

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(3-cyano-2-thienyl)propanamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-N-(3-cyano-2-thienyl)propionamide Formula: C21H26N4O4S2 MolecularWeight: 462.58554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C21H26N4O4S2/c1-15(20(26)24-21-16(14-22)9-12-30-21)23-18-13-17(7-8-19(18)29-2)31(27,28)25-10-5-3-4-6-11-25/h7-9,12-13,15,23H,3-6,10-11H2,1-2H3,(H,24,26)