(2S)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-(4-bromanyl-2-fluoranyl-phenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]propanamide CAS Name: (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)propanamide IUPAC Name: (2S)-N-(4-bromo-2-fluorophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide Traditional Name: (2S)-N-(4-bromo-2-fluoro-phenyl)-2-[4-(2-thienylsulfonyl)piperazino]propionamide Formula: C17H19BrFN3O3S2 MolecularWeight: 476.383463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)Br)F)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H19BrFN3O3S2/c1-12(17(23)20-15-5-4-13(18)11-14(15)19)21-6-8-22(9-7-21)27(24,25)16-3-2-10-26-16/h2-5,10-12H,6-9H2,1H3,(H,20,23)/t12-/m0/s1