4-[[4-azanyl-5-[2,3-bis(fluoranyl)-6-methoxy-phenyl]carbonyl-pyrimidin-2-yl]amino]piperidine-1-sulfonamide

Systemtic Name: 4-[[4-azanyl-5-[2,3-bis(fluoranyl)-6-methoxy-phenyl]carbonyl-pyrimidin-2-yl]amino]piperidine-1-sulfonamide Openeye Name: 4-[[4-amino-5-(2,3-difluoro-6-methoxy-benzoyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide CAS Name: 4-[[4-amino-5-[(2,3-difluoro-6-methoxyphenyl)-oxomethyl]-2-pyrimidinyl]amino]-1-piperidinesulfonamide IUPAC Name: 4-[[4-amino-5-(2,3-difluoro-6-methoxybenzoyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide Traditional Name: 4-[[4-amino-5-(2,3-difluoro-6-methoxy-benzoyl)pyrimidin-2-yl]amino]piperidine-1-sulfonamide Formula: C17H20F2N6O4S MolecularWeight: 442.440306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)N

Isomeric SMILES

COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)N

InChI

InChI=1S/C17H20F2N6O4S/c1-29-12-3-2-11(18)14(19)13(12)15(26)10-8-22-17(24-16(10)20)23-9-4-6-25(7-5-9)30(21,27)28/h2-3,8-9H,4-7H2,1H3,(H2,21,27,28)(H3,20,22,23,24)