2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[3-bromo-N-(p-tolylsulfonyl)anilino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(3-bromo-N-tosyl-anilino)-N-(3-pyridylmethyl)acetamide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCC2=CN=CC=C2)C3=CC(=CC=C3)Br

InChI

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