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

Systemtic Name: 1-[2-azanyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile Openeye Name: 1-[2-amino-3-[1-(p-tolylsulfonyl)-4-piperidyl]propanoyl]-4-fluoro-pyrrolidine-2-carbonitrile CAS Name: 1-[2-amino-3-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-1-oxopropyl]-4-fluoro-2-pyrrolidinecarbonitrile IUPAC Name: 1-[2-amino-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanoyl]-4-fluoropyrrolidine-2-carbonitrile Traditional Name: 1-[2-amino-3-(1-tosyl-4-piperidyl)propanoyl]-4-fluoro-pyrrolidine-2-carbonitrile Formula: C20H27FN4O3S MolecularWeight: 422.516783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CC(C(=O)N3CC(CC3C#N)F)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)CC(C(=O)N3CC(CC3C#N)F)N

InChI

InChI=1S/C20H27FN4O3S/c1-14-2-4-18(5-3-14)29(27,28)24-8-6-15(7-9-24)10-19(23)20(26)25-13-16(21)11-17(25)12-22/h2-5,15-17,19H,6-11,13,23H2,1H3