4-[4-[2-(2,2-dimethylpropanoylamino)propanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[2-(2,2-dimethylpropanoylamino)propanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[2-(2,2-dimethylpropanoylamino)propanoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[2-[(2,2-dimethyl-1-oxopropyl)amino]-1-oxopropyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[2-(2,2-dimethylpropanoylamino)propanoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[2-(pivaloylamino)propanoyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C18H29N5O5S MolecularWeight: 427.51836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C)NC(=O)C(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CN(C(=C2)C(=O)N)C)NC(=O)C(C)(C)C

InChI

InChI=1S/C18H29N5O5S/c1-12(20-17(26)18(2,3)4)16(25)22-6-8-23(9-7-22)29(27,28)13-10-14(15(19)24)21(5)11-13/h10-12H,6-9H2,1-5H3,(H2,19,24)(H,20,26)