2-(2-nitrophenyl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(2-nitrophenyl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(2-nitrophenyl)sulfonyl-1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-(2-nitrophenyl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(2-nitrophenyl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(2-nitrophenyl)sulfonyl-1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinoline Formula: C21H19N3O4S MolecularWeight: 409.45826

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=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c25-24(26)19-7-3-4-8-21(19)29(27,28)23-14-11-17-5-1-2-6-18(17)20(23)15-16-9-12-22-13-10-16/h1-10,12-13,20H,11,14-15H2