1-[2-azanyl-3-methyl-3-[(4-phenylmethoxyphenyl)methylsulfonyl]butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile

Systemtic Name: 1-[2-azanyl-3-methyl-3-[(4-phenylmethoxyphenyl)methylsulfonyl]butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile Openeye Name: 1-[2-amino-3-[(4-benzyloxyphenyl)methylsulfonyl]-3-methyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile CAS Name: 1-[2-amino-3-methyl-1-oxo-3-[(4-phenylmethoxyphenyl)methylsulfonyl]butyl]-4-fluoro-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-amino-3-methyl-3-[(4-phenylmethoxyphenyl)methylsulfonyl]butanoyl]-4-fluoropyrrolidine-2-carbonitrile Traditional Name: 1-[2-amino-3-(4-benzoxybenzyl)sulfonyl-3-methyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile Formula: C24H28FN3O4S MolecularWeight: 473.560223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)S(=O)(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)S(=O)(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H28FN3O4S/c1-24(2,22(27)23(29)28-14-19(25)12-20(28)13-26)33(30,31)16-18-8-10-21(11-9-18)32-15-17-6-4-3-5-7-17/h3-11,19-20,22H,12,14-16,27H2,1-2H3