N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-N-(2-morpholin-4-ium-4-ylethyl)ethanediamide

Systemtic Name: N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-yl-ethyl]-N-(2-morpholin-4-ium-4-ylethyl)ethanediamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-N'-[(2R)-2-(p-tolylsulfonyl)-2-(2-thienyl)ethyl]oxamide CAS Name: N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[2-(4-morpholin-4-iumyl)ethyl]oxamide IUPAC Name: N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-morpholin-4-ium-4-ylethyl)oxamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-N'-[(2R)-2-(2-thienyl)-2-tosyl-ethyl]oxamide Formula: C21H28N3O5S2+ MolecularWeight: 466.59412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CNC(=O)C(=O)NCC[NH+]2CCOCC2)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[C@H](CNC(=O)C(=O)NCC[NH+]2CCOCC2)C3=CC=CS3

InChI

InChI=1S/C21H27N3O5S2/c1-16-4-6-17(7-5-16)31(27,28)19(18-3-2-14-30-18)15-23-21(26)20(25)22-8-9-24-10-12-29-13-11-24/h2-7,14,19H,8-13,15H2,1H3,(H,22,25)(H,23,26)/p+1/t19-/m1/s1