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

Systemtic Name: 4-[[3-[2-(2-methylphenoxy)ethyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Openeye Name: 4-[[3-[2-(2-methylphenoxy)ethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde CAS Name: 4-[[3-[2-(2-methylphenoxy)ethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[3-[2-(2-methylphenoxy)ethyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Traditional Name: 4-[[2-keto-3-[2-(2-methylphenoxy)ethyl]-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C=O)OC2=O

Isomeric SMILES

CC1=CC=CC=C1OCCN2C3=C(C=C(C=C3)S(=O)(=O)N4CCN(CC4)C=O)OC2=O

InChI

InChI=1S/C21H23N3O6S/c1-16-4-2-3-5-19(16)29-13-12-24-18-7-6-17(14-20(18)30-21(24)26)31(27,28)23-10-8-22(15-25)9-11-23/h2-7,14-15H,8-13H2,1H3