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

Systemtic Name: (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2R)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-16(20(24)21-17-6-4-3-5-7-17)22-12-14-23(15-13-22)28(25,26)19-10-8-18(27-2)9-11-19/h3-11,16H,12-15H2,1-2H3,(H,21,24)/p+1/t16-/m1/s1