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

Systemtic Name: (3S)-N-ethyl-1-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-benzyl-N-ethyl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-ethyl-1-(4-fluorophenyl)sulfonyl-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-benzyl-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-benzyl-N-ethyl-1-(4-fluorophenyl)sulfonyl-nipecotamide Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O3S/c1-2-23(15-17-7-4-3-5-8-17)21(25)18-9-6-14-24(16-18)28(26,27)20-12-10-19(22)11-13-20/h3-5,7-8,10-13,18H,2,6,9,14-16H2,1H3/t18-/m0/s1