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

Systemtic Name: 2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[4-bromo-N-(p-tolylsulfonyl)anilino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(4-bromo-N-tosyl-anilino)-N-(3-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=CN=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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