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

Systemtic Name: [2-methyl-5-[(4-propyl-1,4-diazepan-1-yl)carbonyl]phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: [2-methyl-5-(4-propyl-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 [2-methyl-5-[oxo-(4-propyl-1,4-diazepan-1-yl)methyl]phenyl] ester IUPAC Name: [2-methyl-5-(4-propyl-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 [2-methyl-5-(4-propyl-1,4-diazepane-1-carbonyl)phenyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)C)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCN1CCCN(CC1)C(=O)C2=CC(=C(C=C2)C)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H30N2O6S/c1-3-9-25-10-4-11-26(13-12-25)24(27)19-6-5-18(2)22(16-19)32-33(28,29)20-7-8-21-23(17-20)31-15-14-30-21/h5-8,16-17H,3-4,9-15H2,1-2H3