N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-fluoranyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-fluoro-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-fluoro-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-fluoro-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-fluoro-3-piperidinosulfonyl-benzamide Formula: C24H31FN2O5S MolecularWeight: 478.576743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C)NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)OCC

InChI

InChI=1S/C24H31FN2O5S/c1-4-31-21-12-10-18(15-22(21)32-5-2)17(3)26-24(28)19-9-11-20(25)23(16-19)33(29,30)27-13-7-6-8-14-27/h9-12,15-17H,4-8,13-14H2,1-3H3,(H,26,28)/t17-/m0/s1