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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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