[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone

Systemtic Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone Openeye Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-[(3S)-1-pyrimidin-2-yl-3-piperidyl]methanone CAS Name: [4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]methanone IUPAC Name: [4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methanone Traditional Name: [4-(4-mesyl-2-nitro-phenyl)piperazino]-[(3S)-1-(2-pyrimidyl)-3-piperidyl]methanone Formula: C21H26N6O5S MolecularWeight: 474.53334

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3CCCN(C3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)[C@H]3CCCN(C3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O5S/c1-33(31,32)17-5-6-18(19(14-17)27(29)30)24-10-12-25(13-11-24)20(28)16-4-2-9-26(15-16)21-22-7-3-8-23-21/h3,5-8,14,16H,2,4,9-13,15H2,1H3/t16-/m0/s1