6-(azepan-1-ylsulfonyl)-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-(azepan-1-ylsulfonyl)-3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 6-(azepan-1-ylsulfonyl)-3-[2-(3-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 6-(1-azepanylsulfonyl)-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 6-(azepan-1-ylsulfonyl)-3-[2-keto-2-(3-nitrophenyl)ethyl]-1,3-benzoxazol-2-one Formula: C21H21N3O7S MolecularWeight: 459.47234

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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)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O7S/c25-19(15-6-5-7-16(12-15)24(27)28)14-23-18-9-8-17(13-20(18)31-21(23)26)32(29,30)22-10-3-1-2-4-11-22/h5-9,12-13H,1-4,10-11,14H2