N-[2-(3-methoxyphenyl)-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanoyl]sulfamate

Systemtic Name: N-[2-(3-methoxyphenyl)-2-(1-pyrimidin-2-ylpiperidin-4-yl)ethanoyl]sulfamate Openeye Name: N-[2-(3-methoxyphenyl)-2-(1-pyrimidin-2-yl-4-piperidyl)acetyl]sulfamate CAS Name: N-[2-(3-methoxyphenyl)-1-oxo-2-[1-(2-pyrimidinyl)-4-piperidinyl]ethyl]sulfamate IUPAC Name: N-[2-(3-methoxyphenyl)-2-(1-pyrimidin-2-ylpiperidin-4-yl)acetyl]sulfamate Traditional Name: N-[2-(3-methoxyphenyl)-2-[1-(2-pyrimidyl)-4-piperidyl]acetyl]sulfamate Formula: C18H21N4O5S- MolecularWeight: 405.44814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2CCN(CC2)C3=NC=CC=N3)C(=O)NS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(C2CCN(CC2)C3=NC=CC=N3)C(=O)NS(=O)(=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-27-15-5-2-4-14(12-15)16(17(23)21-28(24,25)26)13-6-10-22(11-7-13)18-19-8-3-9-20-18/h2-5,8-9,12-13,16H,6-7,10-11H2,1H3,(H,21,23)(H,24,25,26)/p-1