4-[[3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde

Systemtic Name: 4-[[3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Openeye Name: 4-[[2-oxo-3-[2-oxo-2-(p-tolyl)ethyl]-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde CAS Name: 4-[[3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[3-[2-(4-methylphenyl)-2-oxoethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Traditional Name: 4-[[2-keto-3-[2-keto-2-(p-tolyl)ethyl]-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C=O)OC2=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C=O)OC2=O

InChI

InChI=1S/C21H21N3O6S/c1-15-2-4-16(5-3-15)19(26)13-24-18-7-6-17(12-20(18)30-21(24)27)31(28,29)23-10-8-22(14-25)9-11-23/h2-7,12,14H,8-11,13H2,1H3