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

Systemtic Name: [3-[(4-ethyl-1,4-diazepan-1-yl)carbonyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: [3-(4-ethyl-1,4-diazepane-1-carbonyl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [3-[(4-ethyl-1,4-diazepan-1-yl)-oxomethyl]phenyl] ester IUPAC Name: [3-(4-ethyl-1,4-diazepane-1-carbonyl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [3-(4-ethyl-1,4-diazepane-1-carbonyl)phenyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-2-23-9-4-10-24(12-11-23)22(25)17-5-3-6-18(15-17)30-31(26,27)19-7-8-20-21(16-19)29-14-13-28-20/h3,5-8,15-16H,2,4,9-14H2,1H3