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

Systemtic Name: 4-[[3-[(4-methylphenyl)methyl]-2-oxidanylidene-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Openeye Name: 4-[[2-oxo-3-(p-tolylmethyl)-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde CAS Name: 4-[[3-[(4-methylphenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[[3-[(4-methylphenyl)methyl]-2-oxo-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Traditional Name: 4-[[2-keto-3-(4-methylbenzyl)-1,3-benzoxazol-6-yl]sulfonyl]piperazine-1-carbaldehyde Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-15-2-4-16(5-3-15)13-23-18-7-6-17(12-19(18)28-20(23)25)29(26,27)22-10-8-21(14-24)9-11-22/h2-7,12,14H,8-11,13H2,1H3