4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 4-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 4-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 4-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-6-piperidino-pyrimidine Formula: C20H26N6O4S MolecularWeight: 446.52324

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O4S/c1-16-5-6-17(26(27)28)13-18(16)31(29,30)25-11-9-24(10-12-25)20-14-19(21-15-22-20)23-7-3-2-4-8-23/h5-6,13-15H,2-4,7-12H2,1H3