(2S)-N-(2,5-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propionamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C)[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-14-6-7-15(2)18(13-14)21-20(24)16(3)23-10-8-17(9-11-23)22-28(25,26)19-5-4-12-27-19/h4-7,12-13,16-17,22H,8-11H2,1-3H3,(H,21,24)/p+1/t16-/m0/s1