[1-(4-methoxyphenyl)cyclopropyl]-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]methanone

Systemtic Name: [1-(4-methoxyphenyl)cyclopropyl]-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]methanone Openeye Name: [1-(4-methoxyphenyl)cyclopropyl]-[3-(5-methylsulfonylpyrimidin-4-yl)-1-piperidyl]methanone CAS Name: [1-(4-methoxyphenyl)cyclopropyl]-[3-(5-methylsulfonyl-4-pyrimidinyl)-1-piperidinyl]methanone IUPAC Name: [1-(4-methoxyphenyl)cyclopropyl]-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]methanone Traditional Name: [3-(5-mesylpyrimidin-4-yl)piperidino]-[1-(4-methoxyphenyl)cyclopropyl]methanone Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CC2)C(=O)N3CCCC(C3)C4=NC=NC=C4S(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)C2(CC2)C(=O)N3CCCC(C3)C4=NC=NC=C4S(=O)(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-28-17-7-5-16(6-8-17)21(9-10-21)20(25)24-11-3-4-15(13-24)19-18(29(2,26)27)12-22-14-23-19/h5-8,12,14-15H,3-4,9-11,13H2,1-2H3