N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]carbonylphenyl]methanesulfonamide

Systemtic Name: N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]carbonylphenyl]methanesulfonamide Openeye Name: N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[2-[[4-(4,6-dimethoxy-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazine-1-carbonyl]phenyl]methanesulfonamide Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC=CC=C3NS(=O)(=O)C)OC

Isomeric SMILES

COC1=CC(=NC(=N1)N2CCN(CC2)C(=O)C3=CC=CC=C3NS(=O)(=O)C)OC

InChI

InChI=1S/C18H23N5O5S/c1-27-15-12-16(28-2)20-18(19-15)23-10-8-22(9-11-23)17(24)13-6-4-5-7-14(13)21-29(3,25)26/h4-7,12,21H,8-11H2,1-3H3