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

Systemtic Name: (2S)-2-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-4H-1,4-benzoxazin-3-one Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2C(=O)NC3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C[C@H]2C(=O)NC3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O5S/c25-20(14-19-21(26)22-17-8-4-5-9-18(17)29-19)23-10-12-24(13-11-23)30(27,28)15-16-6-2-1-3-7-16/h1-9,19H,10-15H2,(H,22,26)/t19-/m0/s1