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

Systemtic Name: 2-(3-nitrophenyl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(3-nitrophenyl)sulfonyl-1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-(3-nitrophenyl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3-nitrophenyl)sulfonyl-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(3-nitrophenyl)sulfonyl-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=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)18-5-3-6-19(15-18)29(27,28)23-13-10-17-4-1-2-7-20(17)21(23)14-16-8-11-22-12-9-16/h1-9,11-12,15,21H,10,13-14H2