2-(5-chloranylthiophen-2-yl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(5-chloranylthiophen-2-yl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(5-chloro-2-thienyl)sulfonyl]-1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(5-chloro-2-thiophenyl)sulfonyl]-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(5-chlorothiophen-2-yl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(5-chloro-2-thienyl)sulfonyl]-1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinoline Formula: C19H17ClN2O2S2 MolecularWeight: 404.93348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC3=CC=NC=C3)S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC3=CC=NC=C3)S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C19H17ClN2O2S2/c20-18-5-6-19(25-18)26(23,24)22-12-9-15-3-1-2-4-16(15)17(22)13-14-7-10-21-11-8-14/h1-8,10-11,17H,9,12-13H2