2-[2-nitro-5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]phenyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[2-nitro-5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[2-nitro-5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[2-nitro-5-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]phenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[2-nitro-5-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]phenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-(4-mesitylsulfonylpiperazino)-2-nitro-phenyl]-3,4-dihydro-1H-isoquinoline Formula: C28H32N4O4S MolecularWeight: 520.64308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O4S/c1-20-16-21(2)28(22(3)17-20)37(35,36)31-14-12-29(13-15-31)25-8-9-26(32(33)34)27(18-25)30-11-10-23-6-4-5-7-24(23)19-30/h4-9,16-18H,10-15,19H2,1-3H3