2-[4-[(3,4-dimethylphenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(3,4-dimethylphenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(3,4-dimethylphenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[(3,4-dimethylphenyl)sulfonylamino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[(3,4-dimethylphenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[(3,4-dimethylphenyl)sulfonylamino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H27N3O3S/c1-16-8-9-20(14-17(16)2)28(26,27)23-19-10-12-24(13-11-19)15-21(25)22-18-6-4-3-5-7-18/h3-9,14,19,23H,10-13,15H2,1-2H3,(H,22,25)/p+1