4-[3-oxidanylidene-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-oxidanylidene-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propyl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-propyl]-1,4-benzoxazin-3-one CAS Name: 4-[3-oxo-3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[3-(4-benzylsulfonylpiperazin-1-yl)-3-oxopropyl]-1,4-benzoxazin-3-one Traditional Name: 4-[3-(4-benzylsulfonylpiperazino)-3-keto-propyl]-1,4-benzoxazin-3-one Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C(=O)COC3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C(=O)COC3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O5S/c26-21(10-11-25-19-8-4-5-9-20(19)30-16-22(25)27)23-12-14-24(15-13-23)31(28,29)17-18-6-2-1-3-7-18/h1-9H,10-17H2