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

Systemtic Name: 1-[2-azanyl-3-methyl-3-(phenylmethyl)sulfonyl-butanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-(2-amino-3-benzylsulfonyl-3-methyl-butanoyl)-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[2-amino-3-methyl-1-oxo-3-(phenylmethyl)sulfonylbutyl]-4-fluoro-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-(2-amino-3-benzylsulfonyl-3-methylbutanoyl)-4-fluoropyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-(2-amino-3-benzylsulfonyl-3-methyl-butanoyl)-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C17H23ClFN3O3S MolecularWeight: 403.899223

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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=CC=C2.Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H22FN3O3S.ClH/c1-17(2,25(23,24)11-12-6-4-3-5-7-12)15(20)16(22)21-10-13(18)8-14(21)9-19;/h3-7,13-15H,8,10-11,20H2,1-2H3;1H