N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-propan-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-propan-2-ylsulfanyl-ethanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-isopropylsulfanyl-acetamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-(propan-2-ylthio)acetamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-propan-2-ylsulfanylacetamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(isopropylthio)acetamide Formula: C21H33N3O4S2 MolecularWeight: 455.63442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCCC3

Isomeric SMILES

CC(C)SCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N3CCCCCC3

InChI

InChI=1S/C21H33N3O4S2/c1-17(2)29-16-21(25)22-19-15-18(30(26,27)24-11-13-28-14-12-24)7-8-20(19)23-9-5-3-4-6-10-23/h7-8,15,17H,3-6,9-14,16H2,1-2H3,(H,22,25)