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

Systemtic Name: 2-chloranyl-4-[(5-fluoranyl-2-methyl-phenyl)methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]benzenecarbonitrile Openeye Name: 2-chloro-4-[(5-fluoro-2-methyl-phenyl)methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]benzonitrile CAS Name: 2-chloro-4-[(5-fluoro-2-methylphenyl)methyl-[(3S)-1-methylsulfonyl-3-pyrrolidinyl]amino]benzonitrile IUPAC Name: 2-chloro-4-[(5-fluoro-2-methylphenyl)methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]benzonitrile Traditional Name: 2-chloro-4-[(5-fluoro-2-methyl-benzyl)-[(3S)-1-mesylpyrrolidin-3-yl]amino]benzonitrile Formula: C20H21ClFN3O2S MolecularWeight: 421.916043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CN(C2CCN(C2)S(=O)(=O)C)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)F)CN([C@H]2CCN(C2)S(=O)(=O)C)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H21ClFN3O2S/c1-14-3-5-17(22)9-16(14)12-25(18-6-4-15(11-23)20(21)10-18)19-7-8-24(13-19)28(2,26)27/h3-6,9-10,19H,7-8,12-13H2,1-2H3/t19-/m0/s1