4-methyl-3-nitro-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide

Systemtic Name: 4-methyl-3-nitro-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]benzenesulfonamide Openeye Name: 4-methyl-3-nitro-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[4-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]benzenesulfonamide Traditional Name: 4-methyl-3-nitro-N-[4-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide Formula: C22H22N6O5S MolecularWeight: 482.51228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O5S/c1-16-3-8-19(15-20(16)28(30)31)34(32,33)25-18-6-4-17(5-7-18)21(29)26-11-13-27(14-12-26)22-23-9-2-10-24-22/h2-10,15,25H,11-14H2,1H3