(3S)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-p-phenetyl-nipecotamide Formula: C20H23FN2O4S MolecularWeight: 406.471023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O4S/c1-2-27-18-9-7-17(8-10-18)22-20(24)15-4-3-13-23(14-15)28(25,26)19-11-5-16(21)6-12-19/h5-12,15H,2-4,13-14H2,1H3,(H,22,24)/t15-/m0/s1