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

Systemtic Name: 1-[2-azanyl-3-[(3-methoxyphenyl)methylsulfonyl]-3-methyl-butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-[2-amino-3-[(3-methoxyphenyl)methylsulfonyl]-3-methyl-butanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[2-amino-3-[(3-methoxyphenyl)methylsulfonyl]-3-methyl-1-oxobutyl]-4-fluoro-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-[2-amino-3-[(3-methoxyphenyl)methylsulfonyl]-3-methylbutanoyl]-4-fluoropyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-(2-amino-3-m-anisylsulfonyl-3-methyl-butanoyl)-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C18H25ClFN3O4S MolecularWeight: 433.925203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)S(=O)(=O)CC2=CC(=CC=C2)OC.Cl

Isomeric SMILES

CC(C)(C(C(=O)N1CC(CC1C#N)F)N)S(=O)(=O)CC2=CC(=CC=C2)OC.Cl

InChI

InChI=1S/C18H24FN3O4S.ClH/c1-18(2,16(21)17(23)22-10-13(19)8-14(22)9-20)27(24,25)11-12-5-4-6-15(7-12)26-3;/h4-7,13-14,16H,8,10-11,21H2,1-3H3;1H