2-[(4-tert-butylphenyl)sulfonylmethyl]-4H-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-[(4-tert-butylphenyl)sulfonylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-[(4-tert-butylphenyl)sulfonylmethyl]-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-[(4-tert-butylphenyl)sulfonylmethyl]-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-[(4-tert-butylphenyl)sulfonylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-[(4-tert-butylphenyl)sulfonylmethyl]-4H-1,3,4-benzoxadiazepin-5-one Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC2=NNC(=O)C3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)CC2=NNC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C19H20N2O4S/c1-19(2,3)13-8-10-14(11-9-13)26(23,24)12-17-20-21-18(22)15-6-4-5-7-16(15)25-17/h4-11H,12H2,1-3H3,(H,21,22)