4-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(adamantane-1-carbonyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H30N4O4S/c1-23-13-17(9-18(23)19(22)26)30(28,29)25-4-2-24(3-5-25)20(27)21-10-14-6-15(11-21)8-16(7-14)12-21/h9,13-16H,2-8,10-12H2,1H3,(H2,22,26)