N-[(2-bromanyl-5-methoxy-phenyl)methyl]-5-chloranyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-benzenesulfonamide

Systemtic Name: N-[(2-bromanyl-5-methoxy-phenyl)methyl]-5-chloranyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-benzenesulfonamide Openeye Name: N-[(2-bromo-5-methoxy-phenyl)methyl]-5-chloro-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-benzenesulfonamide CAS Name: N-[(2-bromo-5-methoxyphenyl)methyl]-5-chloro-N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methoxybenzenesulfonamide IUPAC Name: N-[(2-bromo-5-methoxyphenyl)methyl]-5-chloro-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxybenzenesulfonamide Traditional Name: N-(2-bromo-5-methoxy-benzyl)-5-chloro-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-benzenesulfonamide Formula: C20H21BrClN3O4S MolecularWeight: 514.82044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)CN(C2CCN(C2)C#N)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)CN([C@@H]2CCN(C2)C#N)S(=O)(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H21BrClN3O4S/c1-28-17-4-5-18(21)14(9-17)11-25(16-7-8-24(12-16)13-23)30(26,27)20-10-15(22)3-6-19(20)29-2/h3-6,9-10,16H,7-8,11-12H2,1-2H3/t16-/m1/s1