4-[4-(4-methyl-3,5-dinitro-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(4-methyl-3,5-dinitro-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(4-methyl-3,5-dinitro-phenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(4-methyl-3,5-dinitrophenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(4-methyl-3,5-dinitro-phenyl)sulfonylpiperazino]-6-piperidino-pyrimidine Formula: C20H25N7O6S MolecularWeight: 491.5208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N7O6S/c1-15-17(26(28)29)11-16(12-18(15)27(30)31)34(32,33)25-9-7-24(8-10-25)20-13-19(21-14-22-20)23-5-3-2-4-6-23/h11-14H,2-10H2,1H3