N-(2-tert-butylsulfanylethyl)-4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]benzamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]benzamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-[(3,4-dimethyl-N-methylsulfonyl-anilino)methyl]benzamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-[(N-mesyl-3,4-dimethyl-anilino)methyl]benzamide Formula: C23H32N2O3S2 MolecularWeight: 448.64178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3S2/c1-17-7-12-21(15-18(17)2)25(30(6,27)28)16-19-8-10-20(11-9-19)22(26)24-13-14-29-23(3,4)5/h7-12,15H,13-14,16H2,1-6H3,(H,24,26)