2-(phenylsulfonylmethyl)-4H-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-(phenylsulfonylmethyl)-4H-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-(benzenesulfonylmethyl)-4H-1,3,4-benzoxadiazepin-5-one CAS Name: 2-(benzenesulfonylmethyl)-4H-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-(benzenesulfonylmethyl)-4H-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-(besylmethyl)-4H-1,3,4-benzoxadiazepin-5-one Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O4S/c18-15-12-8-4-5-9-13(12)21-14(16-17-15)10-22(19,20)11-6-2-1-3-7-11/h1-9H,10H2,(H,17,18)