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

Systemtic Name: 2-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-[4-(2-naphthylsulfonyl)piperazino]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C29H28N4O4S MolecularWeight: 528.62202

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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=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)S(=O)(=O)C5=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H28N4O4S/c34-33(35)28-12-10-26(20-29(28)31-14-13-23-6-2-4-8-25(23)21-31)30-15-17-32(18-16-30)38(36,37)27-11-9-22-5-1-3-7-24(22)19-27/h1-12,19-20H,13-18,21H2