(2S)-N-(2-methylsulfanylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-methylsulfanylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-methylsulfanylphenyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[2-(methylthio)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-methylsulfanylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-[2-(methylthio)phenyl]-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propionamide Formula: C19H26N3O3S3+ MolecularWeight: 440.62304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1SC)[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H25N3O3S3/c1-14(19(23)20-16-6-3-4-7-17(16)26-2)22-11-9-15(10-12-22)21-28(24,25)18-8-5-13-27-18/h3-8,13-15,21H,9-12H2,1-2H3,(H,20,23)/p+1/t14-/m0/s1