1-(2-fluorophenyl)sulfonyl-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-fluorophenyl)sulfonyl-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide Openeye Name: 1-(2-fluorophenyl)sulfonyl-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide CAS Name: 1-(2-fluorophenyl)sulfonyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-fluorophenyl)sulfonyl-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide Traditional Name: 1-(2-fluorophenyl)sulfonyl-N-[4-(isovalerylamino)phenyl]isonipecotamide Formula: C23H28FN3O4S MolecularWeight: 461.549523

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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=CC=CC=C3F

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C23H28FN3O4S/c1-16(2)15-22(28)25-18-7-9-19(10-8-18)26-23(29)17-11-13-27(14-12-17)32(30,31)21-6-4-3-5-20(21)24/h3-10,16-17H,11-15H2,1-2H3,(H,25,28)(H,26,29)