(2-benzamidocyclooctyl) ethanesulfonate

Systemtic Name: (2-benzamidocyclooctyl) ethanesulfonate Openeye Name: (2-benzamidocyclooctyl) ethanesulfonate CAS Name: ethanesulfonic acid (2-benzamidocyclooctyl) ester IUPAC Name: (2-benzamidocyclooctyl) ethanesulfonate Traditional Name: ethanesulfonic acid (2-benzamidocyclooctyl) ester Formula: C17H25NO4S MolecularWeight: 339.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1CCCCCCC1NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCS(=O)(=O)OC1CCCCCCC1NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H25NO4S/c1-2-23(20,21)22-16-13-9-4-3-8-12-15(16)18-17(19)14-10-6-5-7-11-14/h5-7,10-11,15-16H,2-4,8-9,12-13H2,1H3,(H,18,19)