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

Systemtic Name: 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-(4-methylsulfonyl-1-piperazinyl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-(4-methylsulfonylpiperazin-1-yl)-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-(4-mesylpiperazino)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H24N4O4S/c1-29(27,28)23-12-10-21(11-13-23)18-6-7-19(24(25)26)20(14-18)22-9-8-16-4-2-3-5-17(16)15-22/h2-7,14H,8-13,15H2,1H3