(2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)propanamide Openeye Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-isopropylphenyl)propanamide CAS Name: (2S)-2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-propan-2-ylphenyl)propanamide IUPAC Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)propanamide Traditional Name: (2S)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-o-cumenyl-propionamide Formula: C22H29BrN3O3S+ MolecularWeight: 495.45296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H28BrN3O3S/c1-16(2)20-9-4-5-10-21(20)24-22(27)17(3)25-11-13-26(14-12-25)30(28,29)19-8-6-7-18(23)15-19/h4-10,15-17H,11-14H2,1-3H3,(H,24,27)/p+1/t17-/m0/s1