2,5-bis(bromanyl)-N-[(5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]benzenesulfonamide

Systemtic Name: 2,5-bis(bromanyl)-N-[(5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]benzenesulfonamide Openeye Name: 2,5-dibromo-N-[(5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]benzenesulfonamide CAS Name: 2,5-dibromo-N-[(5S)-1-cyano-5-methyl-3-pyrrolidinyl]-N-[(2-phenylphenyl)methyl]benzenesulfonamide IUPAC Name: 2,5-dibromo-N-[(5S)-1-cyano-5-methylpyrrolidin-3-yl]-N-[(2-phenylphenyl)methyl]benzenesulfonamide Traditional Name: 2,5-dibromo-N-[(5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-(2-phenylbenzyl)benzenesulfonamide Formula: C25H23Br2N3O2S MolecularWeight: 589.34202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN1C#N)N(CC2=CC=CC=C2C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)Br)Br

Isomeric SMILES

C[C@H]1CC(CN1C#N)N(CC2=CC=CC=C2C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)Br)Br

InChI

InChI=1S/C25H23Br2N3O2S/c1-18-13-22(16-29(18)17-28)30(33(31,32)25-14-21(26)11-12-24(25)27)15-20-9-5-6-10-23(20)19-7-3-2-4-8-19/h2-12,14,18,22H,13,15-16H2,1H3/t18-,22?/m0/s1