2-[3-(3-nitrophenyl)sulfonylpropyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[3-(3-nitrophenyl)sulfonylpropyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[3-(3-nitrophenyl)sulfonylpropyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[3-(3-nitrophenyl)sulfonylpropyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[3-(3-nitrophenyl)sulfonylpropyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[3-(3-nitrophenyl)sulfonylpropyl]-3,4-dihydro-1H-isoquinoline Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCCS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCCS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4S/c21-20(22)17-7-3-8-18(13-17)25(23,24)12-4-10-19-11-9-15-5-1-2-6-16(15)14-19/h1-3,5-8,13H,4,9-12,14H2