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

Systemtic Name: N-[3-(2,4-dimethylphenyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Openeye Name: N-[3-(2,4-dimethylphenyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide CAS Name: N-[3-(2,4-dimethylphenyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide IUPAC Name: N-[3-(2,4-dimethylphenyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide Traditional Name: N-[3-(2,4-dimethylphenyl)propyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonamide Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C20H25NO4S/c1-15-6-7-17(16(2)13-15)5-3-10-21-26(22,23)18-8-9-19-20(14-18)25-12-4-11-24-19/h6-9,13-14,21H,3-5,10-12H2,1-2H3