(2S)-N-(3-bromophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-bromophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-bromophenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-bromophenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-bromophenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3-bromophenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C17H21BrN3O3S2+ MolecularWeight: 459.40094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Br)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H20BrN3O3S2/c1-13(17(22)19-15-5-2-4-14(18)12-15)20-7-9-21(10-8-20)26(23,24)16-6-3-11-25-16/h2-6,11-13H,7-10H2,1H3,(H,19,22)/p+1/t13-/m0/s1