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

Systemtic Name: 3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-[2-(3-nitrophenyl)-2-oxo-ethyl]-6-(1-piperidylsulfonyl)-1,3-benzoxazol-2-one CAS Name: 3-[2-(3-nitrophenyl)-2-oxoethyl]-6-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(3-nitrophenyl)-2-oxoethyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-(3-nitrophenyl)ethyl]-6-piperidinosulfonyl-1,3-benzoxazol-2-one Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(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/C20H19N3O7S/c24-18(14-5-4-6-15(11-14)23(26)27)13-22-17-8-7-16(12-19(17)30-20(22)25)31(28,29)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10,13H2