2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)ethanamide

Systemtic Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]-N-(4-morpholinophenyl)acetamide CAS Name: 2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]-N-(4-morpholinophenyl)acetamide Formula: C23H30N4O4S2 MolecularWeight: 490.6387

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H30N4O4S2/c28-22(25-19-5-7-20(8-6-19)26-13-15-31-16-14-26)18-32-23-10-9-21(17-24-23)33(29,30)27-11-3-1-2-4-12-27/h5-10,17H,1-4,11-16,18H2,(H,25,28)