[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [1-(4-methoxypyrimidin-2-yl)-4-piperidyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [1-(4-methoxy-2-pyrimidinyl)-4-piperidinyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [1-(4-methoxypyrimidin-2-yl)-4-piperidyl]-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H26N6O6S MolecularWeight: 490.53274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)N2CCC(CC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=NC(=NC=C1)N2CCC(CC2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O6S/c1-33-19-5-8-22-21(23-19)25-9-6-16(7-10-25)20(28)24-11-13-26(14-12-24)34(31,32)18-4-2-3-17(15-18)27(29)30/h2-5,8,15-16H,6-7,9-14H2,1H3