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

Systemtic Name: (2S)-N-(4-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(p-tolyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(p-tolyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propionamide Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S2/c1-14-5-7-16(8-6-14)20-19(23)15(2)22-11-9-17(10-12-22)21-27(24,25)18-4-3-13-26-18/h3-8,13,15,17,21H,9-12H2,1-2H3,(H,20,23)/p+1/t15-/m0/s1