4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)methylsulfonyl]phenyl]-3-methyl-benzaldehyde

Systemtic Name: 4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)methylsulfonyl]phenyl]-3-methyl-benzaldehyde Openeye Name: 4-[2-[(3,4-dimethylisoxazol-5-yl)methylsulfonyl]phenyl]-3-methyl-benzaldehyde CAS Name: 4-[2-[(3,4-dimethyl-5-isoxazolyl)methylsulfonyl]phenyl]-3-methylbenzaldehyde IUPAC Name: 4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)methylsulfonyl]phenyl]-3-methylbenzaldehyde Traditional Name: 4-[2-[(3,4-dimethylisoxazol-5-yl)methylsulfonyl]phenyl]-3-methyl-benzaldehyde Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=O)C2=CC=CC=C2S(=O)(=O)CC3=C(C(=NO3)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C=O)C2=CC=CC=C2S(=O)(=O)CC3=C(C(=NO3)C)C

InChI

InChI=1S/C20H19NO4S/c1-13-10-16(11-22)8-9-17(13)18-6-4-5-7-20(18)26(23,24)12-19-14(2)15(3)21-25-19/h4-11H,12H2,1-3H3