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

Systemtic Name: 2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]pyrimidine Formula: C15H17BrN4O2S MolecularWeight: 397.29008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)Br

InChI

InChI=1S/C15H17BrN4O2S/c1-12-11-13(3-4-14(12)16)23(21,22)20-9-7-19(8-10-20)15-17-5-2-6-18-15/h2-6,11H,7-10H2,1H3