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

Systemtic Name: 4-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-oxo-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one Traditional Name: 4-[2-keto-2-[4-(2-thienylsulfonyl)piperazino]ethyl]-1,4-benzoxazin-3-one Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)COC3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)COC3=CC=CC=C32)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N3O5S2/c22-16(12-21-14-4-1-2-5-15(14)26-13-17(21)23)19-7-9-20(10-8-19)28(24,25)18-6-3-11-27-18/h1-6,11H,7-10,12-13H2