5-bromanyl-N-(2-cyanoethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide

Systemtic Name: 5-bromanyl-N-(2-cyanoethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide Openeye Name: 5-bromo-N-(2-cyanoethyl)-2-methoxy-N-(3-pyridylmethyl)benzenesulfonamide CAS Name: 5-bromo-N-(2-cyanoethyl)-2-methoxy-N-(3-pyridinylmethyl)benzenesulfonamide IUPAC Name: 5-bromo-N-(2-cyanoethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide Traditional Name: 5-bromo-N-(2-cyanoethyl)-2-methoxy-N-(3-pyridylmethyl)benzenesulfonamide Formula: C16H16BrN3O3S MolecularWeight: 410.28554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C16H16BrN3O3S/c1-23-15-6-5-14(17)10-16(15)24(21,22)20(9-3-7-18)12-13-4-2-8-19-11-13/h2,4-6,8,10-11H,3,9,12H2,1H3