2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide

Systemtic Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-4-phenylbutan-2-yl]ethanamide Openeye Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide CAS Name: 2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide IUPAC Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide Traditional Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-methyl-3-phenyl-propyl]acetamide Formula: C22H29BrN3O3S+ MolecularWeight: 495.45296

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H28BrN3O3S/c1-18(10-11-19-6-3-2-4-7-19)24-22(27)17-25-12-14-26(15-13-25)30(28,29)21-9-5-8-20(23)16-21/h2-9,16,18H,10-15,17H2,1H3,(H,24,27)/p+1/t18-/m1/s1