4-[[2-methyl-4-(3-methylsulfonylpyrrolidin-1-yl)quinolin-7-yl]oxymethyl]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[[2-methyl-4-(3-methylsulfonylpyrrolidin-1-yl)quinolin-7-yl]oxymethyl]benzenecarbonitrile hydrochloride Openeye Name: 4-[[2-methyl-4-(3-methylsulfonylpyrrolidin-1-yl)-7-quinolyl]oxymethyl]benzonitrile hydrochloride CAS Name: 4-[[2-methyl-4-(3-methylsulfonyl-1-pyrrolidinyl)-7-quinolinyl]oxymethyl]benzonitrile hydrochloride IUPAC Name: 4-[[2-methyl-4-(3-methylsulfonylpyrrolidin-1-yl)quinolin-7-yl]oxymethyl]benzonitrile hydrochloride Traditional Name: 4-[[4-(3-mesylpyrrolidino)-2-methyl-7-quinolyl]oxymethyl]benzonitrile hydrochloride Formula: C23H24ClN3O3S MolecularWeight: 457.97296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C#N)C(=C1)N4CCC(C4)S(=O)(=O)C.Cl

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)OCC3=CC=C(C=C3)C#N)C(=C1)N4CCC(C4)S(=O)(=O)C.Cl

InChI

InChI=1S/C23H23N3O3S.ClH/c1-16-11-23(26-10-9-20(14-26)30(2,27)28)21-8-7-19(12-22(21)25-16)29-15-18-5-3-17(13-24)4-6-18;/h3-8,11-12,20H,9-10,14-15H2,1-2H3;1H