(2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide

Systemtic Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-2-[4-(3-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=C3)Br

Isomeric SMILES

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

InChI

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