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2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-tert-butylsulfanylethyl)ethanamide

2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-tert-butylsulfanylethyl)ethanamide

Systemtic Name:2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-tert-butylsulfanylethyl)ethanamide
Openeye Name:2-[3-bromo-N-(p-tolylsulfonyl)anilino]-N-(2-tert-butylsulfanylethyl)acetamide
CAS Name:2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[2-(tert-butylthio)ethyl]acetamide
IUPAC Name:2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-tert-butylsulfanylethyl)acetamide
Traditional Name:2-(3-bromo-N-tosyl-anilino)-N-[2-(tert-butylthio)ethyl]acetamide
Formula: C21H27BrN2O3S2
MolecularWeight: 499.48468
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)C2=CC(=CC=C2)Br


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)C2=CC(=CC=C2)Br


InChI

InChI=1S/C21H27BrN2O3S2/c1-16-8-10-19(11-9-16)29(26,27)24(18-7-5-6-17(22)14-18)15-20(25)23-12-13-28-21(2,3)4/h5-11,14H,12-13,15H2,1-4H3,(H,23,25)


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