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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(2-pyridyl)thiazol-2-yl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[4-(2-pyridinyl)-2-thiazolyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-(2-pyridyl)thiazol-2-yl]propionamide Formula: C23H26N4O3S2 MolecularWeight: 470.60754

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC(=CS3)C4=CC=CC=N4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC(=CS3)C4=CC=CC=N4

InChI

InChI=1S/C23H26N4O3S2/c28-22(26-23-25-21(17-31-23)20-7-3-4-14-24-20)13-10-18-8-11-19(12-9-18)32(29,30)27-15-5-1-2-6-16-27/h3-4,7-9,11-12,14,17H,1-2,5-6,10,13,15-16H2,(H,25,26,28)