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

Systemtic Name: 2-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-nitro-5-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]phenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]phenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[2-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazino]phenyl]-3,4-dihydro-1H-isoquinoline Formula: C25H25N5O6S MolecularWeight: 523.5609

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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=CC=C5[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O6S/c31-29(32)22-10-9-21(17-24(22)27-12-11-19-5-1-2-6-20(19)18-27)26-13-15-28(16-14-26)37(35,36)25-8-4-3-7-23(25)30(33)34/h1-10,17H,11-16,18H2