5-bromanyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide

Systemtic Name: 5-bromanyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide Openeye Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide CAS Name: 5-bromo-N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methoxy-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide IUPAC Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide Traditional Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-N-(4-mesylbenzyl)-2-methoxy-benzenesulfonamide Formula: C20H22BrN3O5S2 MolecularWeight: 528.43978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CC2=CC=C(C=C2)S(=O)(=O)C)C3CCN(C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CC2=CC=C(C=C2)S(=O)(=O)C)[C@@H]3CCN(C3)C#N

InChI

InChI=1S/C20H22BrN3O5S2/c1-29-19-8-5-16(21)11-20(19)31(27,28)24(17-9-10-23(13-17)14-22)12-15-3-6-18(7-4-15)30(2,25)26/h3-8,11,17H,9-10,12-13H2,1-2H3/t17-/m1/s1