3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(4-cyanophenyl)thiazol-2-yl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[4-(4-cyanophenyl)-2-thiazolyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(4-cyanophenyl)thiazol-2-yl]propionamide Formula: C25H26N4O3S2 MolecularWeight: 494.62894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H26N4O3S2/c26-17-20-5-10-21(11-6-20)23-18-33-25(27-23)28-24(30)14-9-19-7-12-22(13-8-19)34(31,32)29-15-3-1-2-4-16-29/h5-8,10-13,18H,1-4,9,14-16H2,(H,27,28,30)