N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(1,3-benzoxazol-2-ylthio)acetamide Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22ClN3O4S2/c22-16-10-9-15(31(27,28)25-11-5-1-2-6-12-25)13-18(16)23-20(26)14-30-21-24-17-7-3-4-8-19(17)29-21/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,23,26)