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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(2-keto-1,3-benzoxazol-3-yl)acetamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H22ClN3O5S/c22-16-10-9-15(31(28,29)24-11-5-1-2-6-12-24)13-17(16)23-20(26)14-25-18-7-3-4-8-19(18)30-21(25)27/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,23,26)