N-(4-methylsulfonylphenyl)-5-nitro-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxy-pyrimidin-4-amine

Systemtic Name: N-(4-methylsulfonylphenyl)-5-nitro-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxy-pyrimidin-4-amine Openeye Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[[1-(2-thienylsulfonyl)-4-piperidyl]oxy]pyrimidin-4-amine CAS Name: N-(4-methylsulfonylphenyl)-5-nitro-6-[(1-thiophen-2-ylsulfonyl-4-piperidinyl)oxy]-4-pyrimidinamine IUPAC Name: N-(4-methylsulfonylphenyl)-5-nitro-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidin-4-amine Traditional Name: (4-mesylphenyl)-[5-nitro-6-[[1-(2-thienylsulfonyl)-4-piperidyl]oxy]pyrimidin-4-yl]amine Formula: C20H21N5O7S3 MolecularWeight: 539.60504

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)S(=O)(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)OC3CCN(CC3)S(=O)(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O7S3/c1-34(28,29)16-6-4-14(5-7-16)23-19-18(25(26)27)20(22-13-21-19)32-15-8-10-24(11-9-15)35(30,31)17-3-2-12-33-17/h2-7,12-13,15H,8-11H2,1H3,(H,21,22,23)