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

Systemtic Name: 5-bromanyl-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-(3-phenylpropyl)benzenesulfonamide Openeye Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-(3-phenylpropyl)benzenesulfonamide CAS Name: 5-bromo-N-[(3R)-1-cyano-3-pyrrolidinyl]-2-methoxy-N-(3-phenylpropyl)benzenesulfonamide IUPAC Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-(3-phenylpropyl)benzenesulfonamide Traditional Name: 5-bromo-N-[(3R)-1-cyanopyrrolidin-3-yl]-2-methoxy-N-(3-phenylpropyl)benzenesulfonamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CCCC2=CC=CC=C2)C3CCN(C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)N(CCCC2=CC=CC=C2)[C@@H]3CCN(C3)C#N

InChI

InChI=1S/C21H24BrN3O3S/c1-28-20-10-9-18(22)14-21(20)29(26,27)25(19-11-13-24(15-19)16-23)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,19H,5,8,11-13,15H2,1H3/t19-/m1/s1