(3S)-N-(5-acetamido-2-fluoranyl-phenyl)-1-(4-chlorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(5-acetamido-2-fluoranyl-phenyl)-1-(4-chlorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(5-acetamido-2-fluoro-phenyl)-1-(4-chlorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(5-acetamido-2-fluorophenyl)-1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(5-acetamido-2-fluorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(5-acetamido-2-fluoro-phenyl)-1-(4-chlorophenyl)sulfonyl-nipecotamide Formula: C20H21ClFN3O4S MolecularWeight: 453.914843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)F)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClFN3O4S/c1-13(26)23-16-6-9-18(22)19(11-16)24-20(27)14-3-2-10-25(12-14)30(28,29)17-7-4-15(21)5-8-17/h4-9,11,14H,2-3,10,12H2,1H3,(H,23,26)(H,24,27)/t14-/m0/s1