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

Systemtic Name: 2-chloranyl-4-[(2-fluorophenyl)methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]benzenecarbonitrile Openeye Name: 2-chloro-4-[(2-fluorophenyl)methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]benzonitrile CAS Name: 2-chloro-4-[(2-fluorophenyl)methyl-[(3S)-1-methylsulfonyl-3-pyrrolidinyl]amino]benzonitrile IUPAC Name: 2-chloro-4-[(2-fluorophenyl)methyl-[(3S)-1-methylsulfonylpyrrolidin-3-yl]amino]benzonitrile Traditional Name: 2-chloro-4-[(2-fluorobenzyl)-[(3S)-1-mesylpyrrolidin-3-yl]amino]benzonitrile Formula: C19H19ClFN3O2S MolecularWeight: 407.889463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(C1)N(CC2=CC=CC=C2F)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CS(=O)(=O)N1CC[C@@H](C1)N(CC2=CC=CC=C2F)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C19H19ClFN3O2S/c1-27(25,26)23-9-8-17(13-23)24(12-15-4-2-3-5-19(15)21)16-7-6-14(11-22)18(20)10-16/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1