[5-[(4-ethyl-1,4-diazepan-1-yl)carbonyl]-2-methyl-phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: [5-[(4-ethyl-1,4-diazepan-1-yl)carbonyl]-2-methyl-phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: [5-(4-ethyl-1,4-diazepane-1-carbonyl)-2-methyl-phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [5-[(4-ethyl-1,4-diazepan-1-yl)-oxomethyl]-2-methylphenyl] ester IUPAC Name: [5-(4-ethyl-1,4-diazepane-1-carbonyl)-2-methylphenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [5-(4-ethyl-1,4-diazepane-1-carbonyl)-2-methyl-phenyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)C)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)C)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N2O6S/c1-3-24-9-4-10-25(12-11-24)23(26)18-6-5-17(2)21(15-18)31-32(27,28)19-7-8-20-22(16-19)30-14-13-29-20/h5-8,15-16H,3-4,9-14H2,1-2H3