2-methyl-4-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

Systemtic Name: 2-methyl-4-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine Openeye Name: 2-methyl-4-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-(1-piperidyl)pyrimidine CAS Name: 2-methyl-4-[4-(4-methyl-3-nitrophenyl)sulfonyl-1-piperazinyl]-6-(1-piperidinyl)pyrimidine IUPAC Name: 2-methyl-4-[4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyrimidine Traditional Name: 2-methyl-4-[4-(4-methyl-3-nitro-phenyl)sulfonylpiperazino]-6-piperidino-pyrimidine Formula: C21H28N6O4S MolecularWeight: 460.54982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O4S/c1-16-6-7-18(14-19(16)27(28)29)32(30,31)26-12-10-25(11-13-26)21-15-20(22-17(2)23-21)24-8-4-3-5-9-24/h6-7,14-15H,3-5,8-13H2,1-2H3