N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[4-(p-tolylsulfonylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[4-(tosylamino)phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H22N2O6S2/c1-16-3-9-19(10-4-16)31(25,26)23-17-5-7-18(8-6-17)24-32(27,28)20-11-12-21-22(15-20)30-14-2-13-29-21/h3-12,15,23-24H,2,13-14H2,1H3