(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2S)-2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclopropyl-2-phenylacetamide IUPAC Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-2-phenylacetamide Traditional Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-2-phenyl-acetamide Formula: C21H25BrN3O3S+ MolecularWeight: 479.4105

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CC1NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H24BrN3O3S/c22-17-7-4-8-19(15-17)29(27,28)25-13-11-24(12-14-25)20(16-5-2-1-3-6-16)21(26)23-18-9-10-18/h1-8,15,18,20H,9-14H2,(H,23,26)/p+1/t20-/m0/s1