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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]-N-(3-chlorophenyl)ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-chlorophenyl)acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-chlorophenyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-chlorophenyl)acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-2-keto-1,3-benzoxazol-3-yl]-N-(3-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=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3O5S/c22-15-6-5-7-16(12-15)23-20(26)14-25-18-9-8-17(13-19(18)30-21(25)27)31(28,29)24-10-3-1-2-4-11-24/h5-9,12-13H,1-4,10-11,14H2,(H,23,26)