2-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3-benzoxazole

Systemtic Name: 2-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3-benzoxazole Openeye Name: 2-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3-benzoxazole CAS Name: 2-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3-benzoxazole IUPAC Name: 2-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3-benzoxazole Traditional Name: 2-[2-(3,4-dimethylphenyl)sulfonylethyl]-1,3-benzoxazole Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3O2)C

InChI

InChI=1S/C17H17NO3S/c1-12-7-8-14(11-13(12)2)22(19,20)10-9-17-18-15-5-3-4-6-16(15)21-17/h3-8,11H,9-10H2,1-2H3