5-bromanyl-2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]pyrimidine

Systemtic Name: 5-bromanyl-2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 5-bromo-2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 5-bromo-2-[4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 5-bromo-2-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 5-bromo-2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazino]pyrimidine Formula: C15H16BrN5O4S MolecularWeight: 442.28764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C=N3)Br)[N+](=O)[O-]

InChI

InChI=1S/C15H16BrN5O4S/c1-11-2-3-13(8-14(11)21(22)23)26(24,25)20-6-4-19(5-7-20)15-17-9-12(16)10-18-15/h2-3,8-10H,4-7H2,1H3