2-chloranyl-4-[(2-chloranyl-5-fluoranyl-phenyl)methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[(2-chloranyl-5-fluoranyl-phenyl)methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]benzenecarbonitrile Openeye Name: 2-chloro-4-[(2-chloro-5-fluoro-phenyl)methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]benzonitrile CAS Name: 2-chloro-4-[(2-chloro-5-fluorophenyl)methyl-[(3S)-1-methylsulfonyl-3-pyrrolidinyl]amino]benzonitrile IUPAC Name: 2-chloro-4-[(2-chloro-5-fluorophenyl)methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]benzonitrile Traditional Name: 2-chloro-4-[(2-chloro-5-fluoro-benzyl)-[(3S)-1-mesylpyrrolidin-3-yl]amino]benzonitrile Formula: C19H18Cl2FN3O2S MolecularWeight: 442.334523

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(C1)N(CC2=C(C=CC(=C2)F)Cl)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CS(=O)(=O)N1CC[C@@H](C1)N(CC2=C(C=CC(=C2)F)Cl)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C19H18Cl2FN3O2S/c1-28(26,27)24-7-6-17(12-24)25(11-14-8-15(22)3-5-18(14)20)16-4-2-13(10-23)19(21)9-16/h2-5,8-9,17H,6-7,11-12H2,1H3/t17-/m0/s1