methyl 5-[[4-[(cyclohexylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: methyl 5-[[4-[(cyclohexylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: methyl 5-[[4-[(cyclohexylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[[[4-[(cyclohexylamino)methyl]phenyl]sulfonylamino]-oxomethyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(cyclohexylamino)methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[(cyclohexylamino)methyl]phenyl]sulfonylcarbamoyl]picolinic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CNC3CCCCC3

Isomeric SMILES

COC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)CNC3CCCCC3

InChI

InChI=1S/C21H25N3O5S/c1-29-21(26)19-12-9-16(14-23-19)20(25)24-30(27,28)18-10-7-15(8-11-18)13-22-17-5-3-2-4-6-17/h7-12,14,17,22H,2-6,13H2,1H3,(H,24,25)