1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[4-(3-methylbutanoylamino)phenyl]piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-[4-(isovalerylamino)phenyl]isonipecotamide Formula: C23H27ClFN3O4S MolecularWeight: 495.994583

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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(=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClFN3O4S/c1-15(2)13-22(29)26-17-3-5-18(6-4-17)27-23(30)16-9-11-28(12-10-16)33(31,32)19-7-8-21(25)20(24)14-19/h3-8,14-16H,9-13H2,1-2H3,(H,26,29)(H,27,30)