N-[4-[(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]ethanamide

Systemtic Name: N-[4-[(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]ethanamide Openeye Name: N-[4-[[1-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]phenyl]acetamide Traditional Name: N-[4-[[1-(4-pyridyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]phenyl]acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2C4=CC=NC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2C4=CC=NC=C4

InChI

InChI=1S/C22H21N3O3S/c1-16(26)24-19-6-8-20(9-7-19)29(27,28)25-15-12-17-4-2-3-5-21(17)22(25)18-10-13-23-14-11-18/h2-11,13-14,22H,12,15H2,1H3,(H,24,26)