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

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-6-chloranyl-pyridine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-6-chloro-pyridine-3-carboxamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-6-chloro-3-pyridinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-6-chloropyridine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-6-chloro-nicotinamide Formula: C22H27ClN4O4S MolecularWeight: 478.99218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)NC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C22H27ClN4O4S/c23-21-8-5-17(16-24-21)22(28)25-19-15-18(32(29,30)27-11-13-31-14-12-27)6-7-20(19)26-9-3-1-2-4-10-26/h5-8,15-16H,1-4,9-14H2,(H,25,28)