sodium 4-(3-methoxyphenyl)-1-pyrimidin-2-yl-N-sulfamoyl-piperidine-4-carboxamide

Systemtic Name: sodium 4-(3-methoxyphenyl)-1-pyrimidin-2-yl-N-sulfamoyl-piperidine-4-carboxamide Openeye Name: sodium 4-(3-methoxyphenyl)-1-pyrimidin-2-yl-N-sulfamoyl-piperidine-4-carboxamide CAS Name: sodium 4-(3-methoxyphenyl)-1-(2-pyrimidinyl)-N-sulfamoyl-4-piperidinecarboxamide IUPAC Name: sodium 4-(3-methoxyphenyl)-1-pyrimidin-2-yl-N-sulfamoylpiperidine-4-carboxamide Traditional Name: sodium 4-(3-methoxyphenyl)-1-(2-pyrimidyl)-N-sulfamoyl-isonipecotamide Formula: C17H21N5NaO4S+ MolecularWeight: 414.43451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=O)NS(=O)(=O)N.[Na+]

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCN(CC2)C3=NC=CC=N3)C(=O)NS(=O)(=O)N.[Na+]

InChI

InChI=1S/C17H21N5O4S.Na/c1-26-14-5-2-4-13(12-14)17(15(23)21-27(18,24)25)6-10-22(11-7-17)16-19-8-3-9-20-16;/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,21,23)(H2,18,24,25);/q;+1