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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-16(2)21(27)25-19-6-3-5-17(13-19)14-24-22(28)18-8-11-26(12-9-18)31(29,30)20-7-4-10-23-15-20/h3-7,10,13,15-16,18H,8-9,11-12,14H2,1-2H3,(H,24,28)(H,25,27)