1-[2-azanyl-3-methyl-3-[(3-phenoxyphenyl)methylsulfonyl]butanoyl]-2-fluoranyl-pyrrolidine-2-carbonitrile

Systemtic Name: 1-[2-azanyl-3-methyl-3-[(3-phenoxyphenyl)methylsulfonyl]butanoyl]-2-fluoranyl-pyrrolidine-2-carbonitrile Openeye Name: 1-[2-amino-3-methyl-3-[(3-phenoxyphenyl)methylsulfonyl]butanoyl]-2-fluoro-pyrrolidine-2-carbonitrile CAS Name: 1-[2-amino-3-methyl-1-oxo-3-[(3-phenoxyphenyl)methylsulfonyl]butyl]-2-fluoro-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-amino-3-methyl-3-[(3-phenoxyphenyl)methylsulfonyl]butanoyl]-2-fluoropyrrolidine-2-carbonitrile Traditional Name: 1-[2-amino-3-methyl-3-(3-phenoxybenzyl)sulfonyl-butanoyl]-2-fluoro-pyrrolidine-2-carbonitrile Formula: C23H26FN3O4S MolecularWeight: 459.533643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CCCC1(C#N)F)N)S(=O)(=O)CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(C(=O)N1CCCC1(C#N)F)N)S(=O)(=O)CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H26FN3O4S/c1-22(2,20(26)21(28)27-13-7-12-23(27,24)16-25)32(29,30)15-17-8-6-11-19(14-17)31-18-9-4-3-5-10-18/h3-6,8-11,14,20H,7,12-13,15,26H2,1-2H3