(2S)-N-[3,4-bis(fluoranyl)phenyl]-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: (2S)-N-[3,4-bis(fluoranyl)phenyl]-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide CAS Name: (2S)-2-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-N-(3,4-difluorophenyl)propanamide IUPAC Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide Traditional Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazino]-N-(3,4-difluorophenyl)propionamide Formula: C19H20BrF2N3O3S MolecularWeight: 488.346206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrF2N3O3S/c1-13(19(26)23-15-5-6-17(21)18(22)12-15)24-7-9-25(10-8-24)29(27,28)16-4-2-3-14(20)11-16/h2-6,11-13H,7-10H2,1H3,(H,23,26)/t13-/m0/s1