2-methyl-4-(4-methylphenyl)sulfonyl-1,3,4-benzoxadiazepin-5-one

Systemtic Name: 2-methyl-4-(4-methylphenyl)sulfonyl-1,3,4-benzoxadiazepin-5-one Openeye Name: 2-methyl-4-(p-tolylsulfonyl)-1,3,4-benzoxadiazepin-5-one CAS Name: 2-methyl-4-(4-methylphenyl)sulfonyl-1,3,4-benzoxadiazepin-5-one IUPAC Name: 2-methyl-4-(4-methylphenyl)sulfonyl-1,3,4-benzoxadiazepin-5-one Traditional Name: 2-methyl-4-tosyl-1,3,4-benzoxadiazepin-5-one Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=O)C3=CC=CC=C3OC(=N2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=O)C3=CC=CC=C3OC(=N2)C

InChI

InChI=1S/C16H14N2O4S/c1-11-7-9-13(10-8-11)23(20,21)18-16(19)14-5-3-4-6-15(14)22-12(2)17-18/h3-10H,1-2H3