(2R)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: (2R)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]propanamide CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-N-[2-(2-thienyl)ethyl]propionamide Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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