N-(2-tert-butylsulfanylethyl)-4-[[(5-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]methyl]benzamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-[[(5-chloranyl-2-methyl-phenyl)-(phenylsulfonyl)amino]methyl]benzamide Openeye Name: 4-[[N-(benzenesulfonyl)-5-chloro-2-methyl-anilino]methyl]-N-(2-tert-butylsulfanylethyl)benzamide CAS Name: 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[2-(tert-butylthio)ethyl]benzamide IUPAC Name: 4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-tert-butylsulfanylethyl)benzamide Traditional Name: 4-[(N-besyl-5-chloro-2-methyl-anilino)methyl]-N-[2-(tert-butylthio)ethyl]benzamide Formula: C27H31ClN2O3S2 MolecularWeight: 531.12964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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