2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)-methylsulfonyl-amino]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-(4-bromo-3-methyl-N-methylsulfonyl-anilino)-N-(4-pyridylmethyl)acetamide CAS Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-(4-bromo-N-mesyl-3-methyl-anilino)-N-(4-pyridylmethyl)acetamide Formula: C16H18BrN3O3S MolecularWeight: 412.30142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O3S/c1-12-9-14(3-4-15(12)17)20(24(2,22)23)11-16(21)19-10-13-5-7-18-8-6-13/h3-9H,10-11H2,1-2H3,(H,19,21)