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

Systemtic Name: 2-(5-methylthiophen-2-yl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(5-methyl-2-thienyl)sulfonyl]-1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(5-methyl-2-thiophenyl)sulfonyl]-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(5-methylthiophen-2-yl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(5-methyl-2-thienyl)sulfonyl]-1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinoline Formula: C20H20N2O2S2 MolecularWeight: 384.515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCC3=CC=CC=C3C2CC4=CC=NC=C4

InChI

InChI=1S/C20H20N2O2S2/c1-15-6-7-20(25-15)26(23,24)22-13-10-17-4-2-3-5-18(17)19(22)14-16-8-11-21-12-9-16/h2-9,11-12,19H,10,13-14H2,1H3