N-(2-tert-butylsulfanylethyl)-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]benzamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]benzamide Openeye Name: N-(2-tert-butylsulfanylethyl)-2-[(4-chlorophenyl)methyl-(p-tolylsulfonyl)amino]benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]benzamide Traditional Name: N-[2-(tert-butylthio)ethyl]-2-[(4-chlorobenzyl)-tosyl-amino]benzamide Formula: C27H31ClN2O3S2 MolecularWeight: 531.12964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)NCCSC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3C(=O)NCCSC(C)(C)C

InChI

InChI=1S/C27H31ClN2O3S2/c1-20-9-15-23(16-10-20)35(32,33)30(19-21-11-13-22(28)14-12-21)25-8-6-5-7-24(25)26(31)29-17-18-34-27(2,3)4/h5-16H,17-19H2,1-4H3,(H,29,31)