N-[3-[[(2,4-dimethylphenyl)carbonylamino]carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Systemtic Name: N-[3-[[(2,4-dimethylphenyl)carbonylamino]carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-[[(2,4-dimethylbenzoyl)amino]carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-[[[(2,4-dimethylphenyl)-oxomethyl]hydrazo]-oxomethyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-[[(2,4-dimethylbenzoyl)amino]carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-[[(2,4-dimethylbenzoyl)amino]carbamoyl]phenyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C25H25N3O6S MolecularWeight: 495.5475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O6S/c1-16-7-9-21(17(2)13-16)25(30)27-26-24(29)18-5-3-6-19(14-18)28-35(31,32)20-8-10-22-23(15-20)34-12-4-11-33-22/h3,5-10,13-15,28H,4,11-12H2,1-2H3,(H,26,29)(H,27,30)