4-[4-[3-(2,2-dimethylpropanoylamino)phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-[3-(2,2-dimethylpropanoylamino)phenyl]carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-[3-(2,2-dimethylpropanoylamino)benzoyl]piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-[3-(2,2-dimethylpropanoylamino)benzoyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[3-(pivaloylamino)benzoyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C22H29N5O5S/c1-22(2,3)21(30)24-16-7-5-6-15(12-16)20(29)26-8-10-27(11-9-26)33(31,32)17-13-18(19(23)28)25(4)14-17/h5-7,12-14H,8-11H2,1-4H3,(H2,23,28)(H,24,30)