N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-6-methyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-6-methyl-pyridine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-6-methyl-3-pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-6-methylpyridine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-6-methyl-nicotinamide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCCCC4

InChI

InChI=1S/C23H30N4O4S/c1-18-6-7-19(17-24-18)23(28)25-21-16-20(32(29,30)27-12-14-31-15-13-27)8-9-22(21)26-10-4-2-3-5-11-26/h6-9,16-17H,2-5,10-15H2,1H3,(H,25,28)