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

Systemtic Name: 2-[5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C27H30N4O6S MolecularWeight: 538.6153

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4)OC

InChI

InChI=1S/C27H30N4O6S/c1-36-26-10-8-23(18-27(26)37-2)38(34,35)30-15-13-28(14-16-30)22-7-9-24(31(32)33)25(17-22)29-12-11-20-5-3-4-6-21(20)19-29/h3-10,17-18H,11-16,19H2,1-2H3