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

Systemtic Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[6-(1-azepanylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[6-(azepan-1-ylsulfonyl)-2-keto-1,3-benzoxazol-3-yl]-N-(3-nitrophenyl)acetamide Formula: C21H22N4O7S MolecularWeight: 474.48698

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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)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O7S/c26-20(22-15-6-5-7-16(12-15)25(28)29)14-24-18-9-8-17(13-19(18)32-21(24)27)33(30,31)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11,14H2,(H,22,26)