2-methyl-4-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-yl-pyrimidine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CC1=NC(=CC(=N1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

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