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

Systemtic Name: 2-[4-(3-bromanyl-4-methoxy-phenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 2-[4-(3-bromo-4-methoxy-phenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 2-[4-(3-bromo-4-methoxyphenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-(3-bromo-4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 2-[4-(3-bromo-4-methoxy-phenyl)sulfonylpiperazino]pyrimidine Formula: C15H17BrN4O3S MolecularWeight: 413.28948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3)Br

InChI

InChI=1S/C15H17BrN4O3S/c1-23-14-4-3-12(11-13(14)16)24(21,22)20-9-7-19(8-10-20)15-17-5-2-6-18-15/h2-6,11H,7-10H2,1H3