2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenoxy]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)ethanamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-2-[4-[methyl(p-tolylsulfonyl)amino]phenoxy]acetamide CAS Name: 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1-propan-2-yl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(1-propan-2-ylpiperidin-1-ium-4-yl)acetamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-2-[4-[methyl(tosyl)amino]phenoxy]acetamide Formula: C24H34N3O4S+ MolecularWeight: 460.60946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OCC(=O)NC3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C24H33N3O4S/c1-18(2)27-15-13-20(14-16-27)25-24(28)17-31-22-9-7-21(8-10-22)26(4)32(29,30)23-11-5-19(3)6-12-23/h5-12,18,20H,13-17H2,1-4H3,(H,25,28)/p+1