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

Systemtic Name: 2-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitrophenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C27H30N4O4S MolecularWeight: 506.6165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C27H30N4O4S/c1-20-7-9-25(17-21(20)2)36(34,35)30-15-13-28(14-16-30)24-8-10-26(31(32)33)27(18-24)29-12-11-22-5-3-4-6-23(22)19-29/h3-10,17-18H,11-16,19H2,1-2H3