5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-2-fluoranyl-benzoate

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-2-fluoranyl-benzoate Openeye Name: 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-2-fluoro-benzoate CAS Name: 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-2-fluorobenzoate IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-2-fluorobenzoate Traditional Name: 5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylsulfonyl)-2-fluoro-benzoate Formula: C16H13FNO4S2- MolecularWeight: 366.407123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)[O-]

InChI

InChI=1S/C16H14FNO4S2/c17-13-7-6-11(10-12(13)16(19)20)24(21,22)18-8-3-9-23-15-5-2-1-4-14(15)18/h1-2,4-7,10H,3,8-9H2,(H,19,20)/p-1