(2S)-N-ethyl-N-(phenylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-ethyl-N-(phenylmethyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-benzyl-N-ethyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-ethyl-N-(phenylmethyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-benzyl-N-ethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-benzyl-N-ethyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-3-21(16-18-8-5-4-6-9-18)20(24)17(2)22-11-13-23(14-12-22)28(25,26)19-10-7-15-27-19/h4-10,15,17H,3,11-14,16H2,1-2H3/p+1/t17-/m0/s1