(4-methyl-3-methylsulfonyl-phenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

Systemtic Name: (4-methyl-3-methylsulfonyl-phenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone Openeye Name: (4-methyl-3-methylsulfonyl-phenyl)-[2-(4-pyridyl)pyrrolidin-1-yl]methanone CAS Name: (4-methyl-3-methylsulfonylphenyl)-(2-pyridin-4-yl-1-pyrrolidinyl)methanone IUPAC Name: (4-methyl-3-methylsulfonylphenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone Traditional Name: (3-mesyl-4-methyl-phenyl)-[2-(4-pyridyl)pyrrolidino]methanone Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC2C3=CC=NC=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCC2C3=CC=NC=C3)S(=O)(=O)C

InChI

InChI=1S/C18H20N2O3S/c1-13-5-6-15(12-17(13)24(2,22)23)18(21)20-11-3-4-16(20)14-7-9-19-10-8-14/h5-10,12,16H,3-4,11H2,1-2H3