N-(2,4-dimethylphenyl)-4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-4-[4-(4-methoxy-2-pyrimidinyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-4-[4-(4-methoxypyrimidin-2-yl)piperazino]-3-nitro-benzenesulfonamide Formula: C23H26N6O5S MolecularWeight: 498.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=N4)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=NC=CC(=N4)OC)[N+](=O)[O-])C

InChI

InChI=1S/C23H26N6O5S/c1-16-4-6-19(17(2)14-16)26-35(32,33)18-5-7-20(21(15-18)29(30)31)27-10-12-28(13-11-27)23-24-9-8-22(25-23)34-3/h4-9,14-15,26H,10-13H2,1-3H3