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

Systemtic Name: [2,6-di(propan-2-yl)phenyl] N-[4-(3-ethoxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]carbonylsulfamate Openeye Name: (2,6-diisopropylphenyl) N-[4-(3-ethoxyphenyl)-1-pyrimidin-2-yl-piperidine-4-carbonyl]sulfamate CAS Name: N-[[4-(3-ethoxyphenyl)-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-ethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carbonyl]sulfamate Traditional Name: N-[4-m-phenetyl-1-(2-pyrimidyl)isonipecotoyl]sulfamic acid (2,6-diisopropylphenyl) ester Formula: C30H38N4O5S MolecularWeight: 566.71152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=O)NS(=O)(=O)OC4=C(C=CC=C4C(C)C)C(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=O)NS(=O)(=O)OC4=C(C=CC=C4C(C)C)C(C)C

InChI

InChI=1S/C30H38N4O5S/c1-6-38-24-11-7-10-23(20-24)30(14-18-34(19-15-30)29-31-16-9-17-32-29)28(35)33-40(36,37)39-27-25(21(2)3)12-8-13-26(27)22(4)5/h7-13,16-17,20-22H,6,14-15,18-19H2,1-5H3,(H,33,35)