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

Systemtic Name: 2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C20H24N4O4S MolecularWeight: 416.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-]

InChI

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