(2R)-N-cyclopentyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-cyclopentyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-cyclopentyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-cyclopentyl-2-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-cyclopentyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-cyclopentyl-2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H31N3O5S/c1-15(20(24)21-16-6-4-5-7-16)22-10-12-23(13-11-22)29(25,26)19-14-17(27-2)8-9-18(19)28-3/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,21,24)/p+1/t15-/m1/s1