2-ethanoyl-4-methyl-1-(5-methylsulfonylpyridin-2-yl)-3-(piperidin-4-ylamino)pyrrolidine-2-carbonitrile dihydrochloride

Systemtic Name: 2-ethanoyl-4-methyl-1-(5-methylsulfonylpyridin-2-yl)-3-(piperidin-4-ylamino)pyrrolidine-2-carbonitrile dihydrochloride Openeye Name: 2-acetyl-4-methyl-1-(5-methylsulfonyl-2-pyridyl)-3-(4-piperidylamino)pyrrolidine-2-carbonitrile dihydrochloride CAS Name: 2-acetyl-4-methyl-1-(5-methylsulfonyl-2-pyridinyl)-3-(4-piperidinylamino)-2-pyrrolidinecarbonitrile dihydrochloride IUPAC Name: 2-acetyl-4-methyl-1-(5-methylsulfonylpyridin-2-yl)-3-(piperidin-4-ylamino)pyrrolidine-2-carbonitrile dihydrochloride Traditional Name: 2-acetyl-1-(5-mesyl-2-pyridyl)-4-methyl-3-(4-piperidylamino)pyrrolidine-2-carbonitrile dihydrochloride Formula: C19H29Cl2N5O3S MolecularWeight: 478.43626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C1NC2CCNCC2)(C#N)C(=O)C)C3=NC=C(C=C3)S(=O)(=O)C.Cl.Cl

Isomeric SMILES

CC1CN(C(C1NC2CCNCC2)(C#N)C(=O)C)C3=NC=C(C=C3)S(=O)(=O)C.Cl.Cl

InChI

InChI=1S/C19H27N5O3S.2ClH/c1-13-11-24(17-5-4-16(10-22-17)28(3,26)27)19(12-20,14(2)25)18(13)23-15-6-8-21-9-7-15;;/h4-5,10,13,15,18,21,23H,6-9,11H2,1-3H3;2*1H