(2S)-N-(3-fluorophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: (2S)-N-(3-fluorophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(3-fluorophenyl)propanamide CAS Name: (2S)-N-(3-fluorophenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: (2S)-2-(4-benzylsulfonylpiperazin-1-yl)-N-(3-fluorophenyl)propanamide Traditional Name: (2S)-2-(4-benzylsulfonylpiperazino)-N-(3-fluorophenyl)propionamide Formula: C20H24FN3O3S MolecularWeight: 405.486263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)F)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)F)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24FN3O3S/c1-16(20(25)22-19-9-5-8-18(21)14-19)23-10-12-24(13-11-23)28(26,27)15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3,(H,22,25)/t16-/m0/s1