(2R)-2-[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2R)-2-[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[4-(2-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-[4-(2-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propionamide Formula: C16H23BrN3O3S+ MolecularWeight: 417.34112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Br

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C16H22BrN3O3S/c1-12(16(21)18-13-6-7-13)19-8-10-20(11-9-19)24(22,23)15-5-3-2-4-14(15)17/h2-5,12-13H,6-11H2,1H3,(H,18,21)/p+1/t12-/m1/s1