3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3-fluorophenyl)methyl]propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3-fluorophenyl)methyl]propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3-fluorophenyl)methyl]propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-[(3-fluorophenyl)methyl]-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3-fluorophenyl)methyl]propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(3-fluorobenzyl)propane-1-sulfonamide Formula: C17H17FN2O2S3 MolecularWeight: 396.522483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NCC3=CC(=CC=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)NCC3=CC(=CC=C3)F

InChI

InChI=1S/C17H17FN2O2S3/c18-14-6-3-5-13(11-14)12-19-25(21,22)10-4-9-23-17-20-15-7-1-2-8-16(15)24-17/h1-3,5-8,11,19H,4,9-10,12H2