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

Systemtic Name: [3-[(4-butyl-1,4-diazepan-1-yl)carbonyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: [3-(4-butyl-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-butyl-1,4-diazepan-1-yl)-oxomethyl]phenyl] ester IUPAC Name: [3-(4-butyl-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-butyl-1,4-diazepane-1-carbonyl)phenyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCCN1CCCN(CC1)C(=O)C2=CC(=CC=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H30N2O6S/c1-2-3-10-25-11-5-12-26(14-13-25)24(27)19-6-4-7-20(17-19)32-33(28,29)21-8-9-22-23(18-21)31-16-15-30-22/h4,6-9,17-18H,2-3,5,10-16H2,1H3