N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide Formula: C23H28ClN3O3S MolecularWeight: 462.00472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H28ClN3O3S/c24-21-10-9-20(31(29,30)27-12-5-1-2-6-13-27)15-22(21)25-23(28)17-26-14-11-18-7-3-4-8-19(18)16-26/h3-4,7-10,15H,1-2,5-6,11-14,16-17H2,(H,25,28)