2-[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]-N-(2-chlorophenyl)ethanamide

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-chlorophenyl)acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(2-chlorophenyl)acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-2-keto-1,3-benzoxazol-3-yl]-N-(2-chlorophenyl)acetamide Formula: C21H22ClN3O5S MolecularWeight: 463.93448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)NC4=CC=CC=C4Cl

InChI

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