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

Systemtic Name: N-[4-(2-methylpropanoylamino)phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(2-methylpropanoylamino)phenyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(2-methylpropanoylamino)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(isobutyrylamino)phenyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4S/c1-15(2)20(26)23-17-5-7-18(8-6-17)24-21(27)16-9-12-25(13-10-16)30(28,29)19-4-3-11-22-14-19/h3-8,11,14-16H,9-10,12-13H2,1-2H3,(H,23,26)(H,24,27)