[4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]carbonylsulfamic acid

Systemtic Name: [4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]carbonylsulfamic acid Openeye Name: [4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidine-4-carbonyl]sulfamic acid CAS Name: [[4-(3-methoxyphenyl)-1-(2-pyrimidinyl)-4-piperidinyl]-oxomethyl]sulfamic acid IUPAC Name: [4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carbonyl]sulfamic acid Traditional Name: [4-(3-methoxyphenyl)-1-(2-pyrimidyl)isonipecotoyl]sulfamic acid Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=O)NS(=O)(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=O)NS(=O)(=O)O

InChI

InChI=1S/C17H20N4O5S/c1-26-14-5-2-4-13(12-14)17(15(22)20-27(23,24)25)6-10-21(11-7-17)16-18-8-3-9-19-16/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,20,22)(H,23,24,25)