(2R)-N-(4-bromophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-bromophenyl)propanamide CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(4-bromophenyl)propanamide IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(4-bromophenyl)propanamide Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-N-(4-bromophenyl)propionamide Formula: C19H23BrN3O3S+ MolecularWeight: 453.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22BrN3O3S/c1-15(19(24)21-17-9-7-16(20)8-10-17)22-11-13-23(14-12-22)27(25,26)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3,(H,21,24)/p+1/t15-/m1/s1