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

Systemtic Name: 3-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-oxo-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-1,3-benzoxazol-2-one IUPAC Name: 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]-1,3-benzoxazol-2-one Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=CC=CC=C3OC2=O)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=CC=CC=C3OC2=O)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H17N3O5S2/c21-15(12-20-13-4-1-2-5-14(13)25-17(20)22)18-7-9-19(10-8-18)27(23,24)16-6-3-11-26-16/h1-6,11H,7-10,12H2