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

Systemtic Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide Openeye Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide CAS Name: (2R)-2-[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-methoxyphenyl)propanamide IUPAC Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide Traditional Name: (2R)-2-[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propionamide Formula: C20H25BrN3O4S+ MolecularWeight: 483.3992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O4S/c1-15(20(25)22-17-6-4-7-18(14-17)28-2)23-9-11-24(12-10-23)29(26,27)19-8-3-5-16(21)13-19/h3-8,13-15H,9-12H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1