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

Systemtic Name: [2,6-di(propan-2-yl)phenyl] N-[4-(3-propoxyphenyl)-1-pyrimidin-2-yl-piperidin-4-yl]carbonylsulfamate Openeye Name: (2,6-diisopropylphenyl) N-[4-(3-propoxyphenyl)-1-pyrimidin-2-yl-piperidine-4-carbonyl]sulfamate CAS Name: N-[oxo-[4-(3-propoxyphenyl)-1-(2-pyrimidinyl)-4-piperidinyl]methyl]sulfamic acid [2,6-di(propan-2-yl)phenyl] ester IUPAC Name: [2,6-di(propan-2-yl)phenyl] N-[4-(3-propoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carbonyl]sulfamate Traditional Name: N-[4-(3-propoxyphenyl)-1-(2-pyrimidyl)isonipecotoyl]sulfamic acid (2,6-diisopropylphenyl) ester Formula: C31H40N4O5S MolecularWeight: 580.7381

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C31H40N4O5S/c1-6-20-39-25-11-7-10-24(21-25)31(14-18-35(19-15-31)30-32-16-9-17-33-30)29(36)34-41(37,38)40-28-26(22(2)3)12-8-13-27(28)23(4)5/h7-13,16-17,21-23H,6,14-15,18-20H2,1-5H3,(H,34,36)