(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]nipecotamide Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O4S/c1-28-19-8-4-16(5-9-19)12-13-23-21(25)17-3-2-14-24(15-17)29(26,27)20-10-6-18(22)7-11-20/h4-11,17H,2-3,12-15H2,1H3,(H,23,25)/t17-/m0/s1