2-[5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-[4-(4-fluorophenyl)sulfonylpiperazino]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C25H25FN4O4S MolecularWeight: 496.553803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C25H25FN4O4S/c26-21-5-8-23(9-6-21)35(33,34)29-15-13-27(14-16-29)22-7-10-24(30(31)32)25(17-22)28-12-11-19-3-1-2-4-20(19)18-28/h1-10,17H,11-16,18H2