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

Systemtic Name: (2R)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[2-(2-thienyl)ethyl]propanamide CAS Name: (2R)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[2-(2-thienyl)ethyl]propionamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O3S2/c1-17(20(24)21-10-9-19-8-5-15-27-19)22-11-13-23(14-12-22)28(25,26)16-18-6-3-2-4-7-18/h2-8,15,17H,9-14,16H2,1H3,(H,21,24)/p+1/t17-/m1/s1