methyl 5-[[3-(4-tert-butylphenyl)propanethioylamino]methyl]-2-(methylsulfonylamino)benzoate

Systemtic Name: methyl 5-[[3-(4-tert-butylphenyl)propanethioylamino]methyl]-2-(methylsulfonylamino)benzoate Openeye Name: methyl 5-[[3-(4-tert-butylphenyl)propanethioylamino]methyl]-2-(methanesulfonamido)benzoate CAS Name: 5-[[[3-(4-tert-butylphenyl)-1-sulfanylidenepropyl]amino]methyl]-2-(methanesulfonamido)benzoic acid methyl ester IUPAC Name: methyl 5-[[3-(4-tert-butylphenyl)propanethioylamino]methyl]-2-(methanesulfonamido)benzoate Traditional Name: 5-[[3-(4-tert-butylphenyl)propanethioylamino]methyl]-2-(methanesulfonamido)benzoic acid methyl ester Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CCC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CCC(=S)NCC2=CC(=C(C=C2)NS(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C23H30N2O4S2/c1-23(2,3)18-10-6-16(7-11-18)9-13-21(30)24-15-17-8-12-20(25-31(5,27)28)19(14-17)22(26)29-4/h6-8,10-12,14,25H,9,13,15H2,1-5H3,(H,24,30)