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

Systemtic Name: 2-[2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-[4-(benzenesulfonyl)-1-piperazinyl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-[4-(benzenesulfonyl)piperazin-1-yl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-(4-besylpiperazino)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C25H26N4O4S MolecularWeight: 478.56334

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4S/c30-29(31)24-11-10-22(18-25(24)27-13-12-20-6-4-5-7-21(20)19-27)26-14-16-28(17-15-26)34(32,33)23-8-2-1-3-9-23/h1-11,18H,12-17,19H2