[2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]carbonylsulfamate

Systemtic Name: [2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]carbonylsulfamate Openeye Name: (2,6-diisopropylphenyl) N-[4-(3-methoxyphenyl)-1-pyrimidin-2-yl-piperidine-4-carbonyl]sulfamate CAS Name: N-[[4-(3-methoxyphenyl)-1-(2-pyrimidinyl)-4-piperidinyl]-oxomethyl]sulfamic acid [2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [2,6-di(propan-2-yl)phenyl] N-[4-(3-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carbonyl]sulfamate Traditional Name: N-[4-(3-methoxyphenyl)-1-(2-pyrimidyl)isonipecotoyl]sulfamic acid (2,6-diisopropylphenyl) ester Formula: C29H36N4O5S MolecularWeight: 552.68494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)C2(CCN(CC2)C3=NC=CC=N3)C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)C2(CCN(CC2)C3=NC=CC=N3)C4=CC(=CC=C4)OC

InChI

InChI=1S/C29H36N4O5S/c1-20(2)24-11-7-12-25(21(3)4)26(24)38-39(35,36)32-27(34)29(22-9-6-10-23(19-22)37-5)13-17-33(18-14-29)28-30-15-8-16-31-28/h6-12,15-16,19-21H,13-14,17-18H2,1-5H3,(H,32,34)