1-[2-azanyl-3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]propanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride

Systemtic Name: 1-[2-azanyl-3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]propanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile hydrochloride Openeye Name: 1-[2-amino-3-[1-(p-tolylsulfonyl)-3-piperidyl]propanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride CAS Name: 1-[2-amino-3-[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-1-oxopropyl]-4-fluoro-2-pyrrolidinecarbonitrile hydrochloride IUPAC Name: 1-[2-amino-3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]propanoyl]-4-fluoropyrrolidine-2-carbonitrile hydrochloride Traditional Name: 1-[2-amino-3-(1-tosyl-3-piperidyl)propanoyl]-4-fluoro-pyrrolidine-2-carbonitrile hydrochloride Formula: C20H28ClFN4O3S MolecularWeight: 458.977723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)CC(C(=O)N3CC(CC3C#N)F)N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)CC(C(=O)N3CC(CC3C#N)F)N.Cl

InChI

InChI=1S/C20H27FN4O3S.ClH/c1-14-4-6-18(7-5-14)29(27,28)24-8-2-3-15(12-24)9-19(23)20(26)25-13-16(21)10-17(25)11-22;/h4-7,15-17,19H,2-3,8-10,12-13,23H2,1H3;1H