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

Systemtic Name: (2R)-N-(4-bromophenyl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-bromophenyl)propanamide CAS Name: (2R)-N-(4-bromophenyl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-bromophenyl)propanamide Traditional Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(4-bromophenyl)propionamide Formula: C20H25BrN3O3S+ MolecularWeight: 467.3998

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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)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24BrN3O3S/c1-16(20(25)22-19-9-7-18(21)8-10-19)23-11-13-24(14-12-23)28(26,27)15-17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,22,25)/p+1/t16-/m1/s1