(2S)-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-2-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-[2-(4-besylpiperazino)-2-keto-ethyl]-4H-1,4-benzoxazin-3-one Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2C(=O)NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C[C@H]2C(=O)NC3=CC=CC=C3O2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H21N3O5S/c24-19(14-18-20(25)21-16-8-4-5-9-17(16)28-18)22-10-12-23(13-11-22)29(26,27)15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,21,25)/t18-/m0/s1