N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonyl-phenyl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[2-(butylamino)-5-(4-morpholinylsulfonyl)phenyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-6-methylpyridine-3-carboxamide Traditional Name: N-[2-(butylamino)-5-morpholinosulfonyl-phenyl]-6-methyl-nicotinamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CN=C(C=C3)C

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CN=C(C=C3)C

InChI

InChI=1S/C21H28N4O4S/c1-3-4-9-22-19-8-7-18(30(27,28)25-10-12-29-13-11-25)14-20(19)24-21(26)17-6-5-16(2)23-15-17/h5-8,14-15,22H,3-4,9-13H2,1-2H3,(H,24,26)