N-[4-(2,2-dimethylpropanoylamino)phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(2,2-dimethylpropanoylamino)phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(2,2-dimethylpropanoylamino)phenyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(2,2-dimethylpropanoylamino)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(pivaloylamino)phenyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H28N4O4S/c1-22(2,3)21(28)25-18-8-6-17(7-9-18)24-20(27)16-10-13-26(14-11-16)31(29,30)19-5-4-12-23-15-19/h4-9,12,15-16H,10-11,13-14H2,1-3H3,(H,24,27)(H,25,28)