N'-[4-(4-methylphenyl)sulfonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide

Systemtic Name: N'-[4-(4-methylphenyl)sulfonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide Openeye Name: N'-[4-(p-tolylsulfonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide CAS Name: N'-[4-(4-methylphenyl)sulfonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carbohydrazide IUPAC Name: N'-[4-(4-methylphenyl)sulfonylphenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carbohydrazide Traditional Name: N'-(4-tosylphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-carbohydrazide Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NNC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NNC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H22N2O5S/c1-16-3-8-19(9-4-16)31(27,28)20-10-6-18(7-11-20)24-25-23(26)17-5-12-21-22(15-17)30-14-2-13-29-21/h3-12,15,24H,2,13-14H2,1H3,(H,25,26)