2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide Traditional Name: 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(3-mesylphenyl)acetamide Formula: C21H24N3O4S+ MolecularWeight: 414.49796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O4S/c1-29(26,27)17-6-4-5-16(13-17)22-20(25)14-24-11-9-15(10-12-24)21-23-18-7-2-3-8-19(18)28-21/h2-8,13,15H,9-12,14H2,1H3,(H,22,25)/p+1