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

Systemtic Name: 2-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-[4-(3,4-dichlorophenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-[4-(3,4-dichlorophenyl)sulfonylpiperazino]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C25H24Cl2N4O4S MolecularWeight: 547.45346

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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)Cl)Cl)[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)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H24Cl2N4O4S/c26-22-7-6-21(16-23(22)27)36(34,35)30-13-11-28(12-14-30)20-5-8-24(31(32)33)25(15-20)29-10-9-18-3-1-2-4-19(18)17-29/h1-8,15-16H,9-14,17H2