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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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