3-chloranyl-N-[(3-cyano-2-methoxy-phenyl)methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide

Systemtic Name: 3-chloranyl-N-[(3-cyano-2-methoxy-phenyl)methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide Openeye Name: 3-chloro-N-[(3-cyano-2-methoxy-phenyl)methyl]-N-(4-pyridylmethyl)benzenesulfonamide CAS Name: 3-chloro-N-[(3-cyano-2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide IUPAC Name: 3-chloro-N-[(3-cyano-2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide Traditional Name: 3-chloro-N-(3-cyano-2-methoxy-benzyl)-N-(4-pyridylmethyl)benzenesulfonamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1CN(CC2=CC=NC=C2)S(=O)(=O)C3=CC(=CC=C3)Cl)C#N

Isomeric SMILES

COC1=C(C=CC=C1CN(CC2=CC=NC=C2)S(=O)(=O)C3=CC(=CC=C3)Cl)C#N

InChI

InChI=1S/C21H18ClN3O3S/c1-28-21-17(13-23)4-2-5-18(21)15-25(14-16-8-10-24-11-9-16)29(26,27)20-7-3-6-19(22)12-20/h2-12H,14-15H2,1H3