3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-3-morpholin-4-ylsulfonyl-phenyl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-3-morpholinosulfonyl-phenyl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-ethyl-3-(4-morpholinylsulfonyl)phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-ethyl-3-morpholinosulfonyl-phenyl)methanone Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H26N2O4S/c1-2-17-7-8-19(15-21(17)29(26,27)24-11-13-28-14-12-24)22(25)23-10-9-18-5-3-4-6-20(18)16-23/h3-8,15H,2,9-14,16H2,1H3