N-[(2S)-2-phenylpropyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2S)-2-phenylpropyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(2S)-2-phenylpropyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-2-phenylpropyl]-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(2S)-2-phenylpropyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(2S)-2-phenylpropyl]-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O3S2/c1-16(17-6-3-2-4-7-17)14-20-18(23)15-21-9-11-22(12-10-21)27(24,25)19-8-5-13-26-19/h2-8,13,16H,9-12,14-15H2,1H3,(H,20,23)/p+1/t16-/m1/s1