3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-[4-[2-(1-methylpyrimidin-1-ium-2-yl)sulfanylethylsulfamoyl]phenyl]propanamide

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-N-[4-[2-(1-methylpyrimidin-1-ium-2-yl)sulfanylethylsulfamoyl]phenyl]propanamide Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-[4-[2-(1-methylpyrimidin-1-ium-2-yl)sulfanylethylsulfamoyl]phenyl]propanamide CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[2-[(1-methyl-2-pyrimidin-1-iumyl)thio]ethylsulfamoyl]phenyl]propanamide IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[2-(1-methylpyrimidin-1-ium-2-yl)sulfanylethylsulfamoyl]phenyl]propanamide Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)-N-[4-[2-[(1-methylpyrimidin-1-ium-2-yl)thio]ethylsulfamoyl]phenyl]propionamide Formula: C30H41N4O4S2+ MolecularWeight: 585.80094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCSC3=NC=CC=[N+]3C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCSC3=NC=CC=[N+]3C

InChI

InChI=1S/C30H40N4O4S2/c1-29(2,3)24-19-21(20-25(27(24)36)30(4,5)6)9-14-26(35)33-22-10-12-23(13-11-22)40(37,38)32-16-18-39-28-31-15-8-17-34(28)7/h8,10-13,15,17,19-20,32H,9,14,16,18H2,1-7H3,(H-,33,35,36)/p+1