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

Systemtic Name: (2S)-N-(4-ethoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-ethoxyphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-ethoxyphenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-ethoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-p-phenetyl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C19H26N3O4S2+ MolecularWeight: 424.55744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H25N3O4S2/c1-3-26-17-8-6-16(7-9-17)20-19(23)15(2)21-10-12-22(13-11-21)28(24,25)18-5-4-14-27-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,20,23)/p+1/t15-/m0/s1