4-[4-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[1-(4-methoxypyrimidin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[1-(4-methoxy-2-pyrimidinyl)-4-piperidinyl]-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[1-(4-methoxypyrimidin-2-yl)piperidine-4-carbonyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-[1-(4-methoxypyrimidin-2-yl)isonipecotoyl]piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H29N7O5S MolecularWeight: 491.56386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=CC(=N4)OC

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3CCN(CC3)C4=NC=CC(=N4)OC

InChI

InChI=1S/C21H29N7O5S/c1-25-14-16(13-17(25)19(22)29)34(31,32)28-11-9-26(10-12-28)20(30)15-4-7-27(8-5-15)21-23-6-3-18(24-21)33-2/h3,6,13-15H,4-5,7-12H2,1-2H3,(H2,22,29)