2-[(4-bromophenyl)-(phenylsulfonyl)amino]-N-(2-pyridin-2-ylsulfanylethyl)ethanamide

Systemtic Name: 2-[(4-bromophenyl)-(phenylsulfonyl)amino]-N-(2-pyridin-2-ylsulfanylethyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-bromo-anilino]-N-[2-(2-pyridylsulfanyl)ethyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[2-(2-pyridinylthio)ethyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-bromoanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide Traditional Name: 2-(N-besyl-4-bromo-anilino)-N-[2-(2-pyridylthio)ethyl]acetamide Formula: C21H20BrN3O3S2 MolecularWeight: 506.4358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC2=CC=CC=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCSC2=CC=CC=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O3S2/c22-17-9-11-18(12-10-17)25(30(27,28)19-6-2-1-3-7-19)16-20(26)23-14-15-29-21-8-4-5-13-24-21/h1-13H,14-16H2,(H,23,26)