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

Systemtic Name: 2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]pyrazine Openeye Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]pyrazine CAS Name: 2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]pyrazine IUPAC Name: 2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]pyrazine Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]pyrazine 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=CN=C3)Br

Isomeric SMILES

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

InChI

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