2-[2-fluoranyl-4-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[2-fluoranyl-4-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-fluoro-4-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-[4-(benzenesulfonyl)-1-piperazinyl]-2-fluoro-4-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-fluoro-4-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-(4-besylpiperazino)-2-fluoro-4-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=C(C(=C3)N4CCN(CC4)S(=O)(=O)C5=CC=CC=C5)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

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