2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]pyrimidine Openeye Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]pyrimidine CAS Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]pyrimidine Traditional Name: 2-[4-(4-mesyl-2-nitro-phenyl)piperazino]pyrimidine Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4S/c1-25(23,24)12-3-4-13(14(11-12)20(21)22)18-7-9-19(10-8-18)15-16-5-2-6-17-15/h2-6,11H,7-10H2,1H3