N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-(methylsulfonylmethyl)benzamide

Systemtic Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-(methylsulfonylmethyl)benzamide Openeye Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]-4-(methylsulfonylmethyl)benzamide CAS Name: N-[(2R)-2-(4-methyl-1-piperazin-4-iumyl)-2-thiophen-2-ylethyl]-4-(methylsulfonylmethyl)benzamide IUPAC Name: N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-thiophen-2-ylethyl]-4-(methylsulfonylmethyl)benzamide Traditional Name: 4-(mesylmethyl)-N-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]benzamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C2=CC=C(C=C2)CS(=O)(=O)C)C3=CC=CS3

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C2=CC=C(C=C2)CS(=O)(=O)C)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-22-9-11-23(12-10-22)18(19-4-3-13-27-19)14-21-20(24)17-7-5-16(6-8-17)15-28(2,25)26/h3-8,13,18H,9-12,14-15H2,1-2H3,(H,21,24)/p+1/t18-/m1/s1