N-(2-fluorophenyl)-4-oxidanylidene-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-(2-fluorophenyl)-4-oxidanylidene-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(2-fluorophenyl)-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(2-fluorophenyl)-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(2-fluorophenyl)-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(2-fluorophenyl)-4-keto-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C18H19FN2O3S2 MolecularWeight: 394.483463

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=CC=C1F)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCCN(C1=CC=CC=C1F)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C18H19FN2O3S2/c1-2-10-21(16-6-4-3-5-14(16)19)26(23,24)13-7-8-17-15(12-13)20-18(22)9-11-25-17/h3-8,12H,2,9-11H2,1H3,(H,20,22)