2-[methylsulfonyl(phenyl)amino]-N-(pyridin-1-ium-3-ylmethyl)propanamide

Systemtic Name: 2-[methylsulfonyl(phenyl)amino]-N-(pyridin-1-ium-3-ylmethyl)propanamide Openeye Name: 2-(N-methylsulfonylanilino)-N-(pyridin-1-ium-3-ylmethyl)propanamide CAS Name: 2-(N-methylsulfonylanilino)-N-(3-pyridin-1-iumylmethyl)propanamide IUPAC Name: 2-(N-methylsulfonylanilino)-N-(pyridin-1-ium-3-ylmethyl)propanamide Traditional Name: 2-(N-mesylanilino)-N-(pyridin-1-ium-3-ylmethyl)propionamide Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C[NH+]=CC=C1)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCC1=C[NH+]=CC=C1)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C16H19N3O3S/c1-13(16(20)18-12-14-7-6-10-17-11-14)19(23(2,21)22)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,18,20)/p+1