1-methyl-4-[4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylpiperidin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[[4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]-1-piperidyl]sulfonyl]pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]-1-piperidinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[4-(3-methylbutanoyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 4-[4-(4-isovalerylpiperazine-1-carbonyl)piperidino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C21H33N5O5S MolecularWeight: 467.58222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C21H33N5O5S/c1-15(2)12-19(27)24-8-10-25(11-9-24)21(29)16-4-6-26(7-5-16)32(30,31)17-13-18(20(22)28)23(3)14-17/h13-16H,4-12H2,1-3H3,(H2,22,28)