4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]-N-(1-methylpiperidin-1-ium-4-yl)benzamide

Systemtic Name: 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]-N-(1-methylpiperidin-1-ium-4-yl)benzamide Openeye Name: 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]-N-(1-methylpiperidin-1-ium-4-yl)benzamide CAS Name: 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-(1-methyl-4-piperidin-1-iumyl)benzamide IUPAC Name: 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-1-ium-4-yl)benzamide Traditional Name: 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]-N-(1-methylpiperidin-1-ium-4-yl)benzamide Formula: C24H34N3O3S+ MolecularWeight: 444.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NC3CC[NH+](CC3)C

InChI

InChI=1S/C24H33N3O3S/c1-17-6-9-19(24(2,3)4)16-22(17)31(29,30)26-21-10-7-18(8-11-21)23(28)25-20-12-14-27(5)15-13-20/h6-11,16,20,26H,12-15H2,1-5H3,(H,25,28)/p+1