2-[(3-bromophenyl)-(phenylsulfonyl)amino]-N-(2-tert-butylsulfanylethyl)ethanamide

Systemtic Name: 2-[(3-bromophenyl)-(phenylsulfonyl)amino]-N-(2-tert-butylsulfanylethyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-3-bromo-anilino]-N-(2-tert-butylsulfanylethyl)acetamide CAS Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[2-(tert-butylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(2-tert-butylsulfanylethyl)acetamide Traditional Name: 2-(N-besyl-3-bromo-anilino)-N-[2-(tert-butylthio)ethyl]acetamide Formula: C20H25BrN2O3S2 MolecularWeight: 485.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)CN(C1=CC(=CC=C1)Br)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)SCCNC(=O)CN(C1=CC(=CC=C1)Br)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H25BrN2O3S2/c1-20(2,3)27-13-12-22-19(24)15-23(17-9-7-8-16(21)14-17)28(25,26)18-10-5-4-6-11-18/h4-11,14H,12-13,15H2,1-3H3,(H,22,24)