6-nitro-3-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-nitro-3-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[2-oxo-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-3-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[4-(2-thienylsulfonyl)piperazino]ethyl]-6-nitro-1,3-benzoxazol-2-one Formula: C17H16N4O7S2 MolecularWeight: 452.46154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H16N4O7S2/c22-15(11-20-13-4-3-12(21(24)25)10-14(13)28-17(20)23)18-5-7-19(8-6-18)30(26,27)16-2-1-9-29-16/h1-4,9-10H,5-8,11H2