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

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]propionamide Formula: C19H25BrN3O3S2+ MolecularWeight: 487.4541

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrN3O3S2/c1-13-5-6-17(16(20)12-13)21-19(24)14(2)23-9-7-15(8-10-23)22-28(25,26)18-4-3-11-27-18/h3-6,11-12,14-15,22H,7-10H2,1-2H3,(H,21,24)/p+1/t14-/m0/s1