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

Systemtic Name: 2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]pyrimidine Openeye Name: 2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]pyrimidine CAS Name: 2-[4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine Traditional Name: 2-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazino]pyrimidine Formula: C15H17N5O4S MolecularWeight: 363.39158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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