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

Systemtic Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]-2-butylsulfanyl-ethanamide Openeye Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-butylsulfanyl-acetamide CAS Name: N-[2-(1-azepanyl)-5-(4-morpholinylsulfonyl)phenyl]-2-(butylthio)acetamide IUPAC Name: N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-butylsulfanylacetamide Traditional Name: N-[2-(azepan-1-yl)-5-morpholinosulfonyl-phenyl]-2-(butylthio)acetamide Formula: C22H35N3O4S2 MolecularWeight: 469.661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O4S2/c1-2-3-16-30-18-22(26)23-20-17-19(31(27,28)25-12-14-29-15-13-25)8-9-21(20)24-10-6-4-5-7-11-24/h8-9,17H,2-7,10-16,18H2,1H3,(H,23,26)