2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[4-bromo-N-(p-tolylsulfonyl)anilino]-N-(2-pyridylmethyl)acetamide CAS Name: 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-(4-bromo-N-tosyl-anilino)-N-(2-pyridylmethyl)acetamide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CC=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CC=CC=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O3S/c1-16-5-11-20(12-6-16)29(27,28)25(19-9-7-17(22)8-10-19)15-21(26)24-14-18-4-2-3-13-23-18/h2-13H,14-15H2,1H3,(H,24,26)