quinolin-8-yl azepane-1-sulfonate

Systemtic Name: quinolin-8-yl azepane-1-sulfonate Openeye Name: 8-quinolyl azepane-1-sulfonate CAS Name: 1-azepanesulfonic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl azepane-1-sulfonate Traditional Name: azepane-1-sulfonic acid 8-quinolyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)OC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C15H18N2O3S/c18-21(19,17-11-3-1-2-4-12-17)20-14-9-5-7-13-8-6-10-16-15(13)14/h5-10H,1-4,11-12H2