N-[4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]carbonylsulfamate

Systemtic Name: N-[4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]carbonylsulfamate Openeye Name: N-[4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidine-4-carbonyl]sulfamate CAS Name: N-[[4-(3-methoxyphenyl)-1-(2-pyrimidinyl)-4-piperidinyl]-oxomethyl]sulfamate IUPAC Name: N-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carbonyl]sulfamate Traditional Name: N-[4-(3-methoxyphenyl)-1-(2-pyrimidyl)isonipecotoyl]sulfamate Formula: C17H19N4O5S- MolecularWeight: 391.42156

Click to see the large picture

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)/p-1