4-methylsulfonyl-2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline

Systemtic Name: 4-methylsulfonyl-2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline Openeye Name: 4-methylsulfonyl-2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline CAS Name: 4-methylsulfonyl-2-nitro-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]aniline IUPAC Name: 4-methylsulfonyl-2-nitro-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]aniline Traditional Name: (4-mesyl-2-nitro-phenyl)-[3-[4-(2-pyrimidyl)piperazino]propyl]amine Formula: C18H24N6O4S MolecularWeight: 420.48596

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCCN2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCCN2CCN(CC2)C3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O4S/c1-29(27,28)15-4-5-16(17(14-15)24(25)26)19-8-3-9-22-10-12-23(13-11-22)18-20-6-2-7-21-18/h2,4-7,14,19H,3,8-13H2,1H3