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

Systemtic Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[3-[4-(2-fluorophenyl)-1-piperazinyl]propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[3-[4-(2-fluorophenyl)piperazino]propyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C22H27FN4O3S2 MolecularWeight: 478.603183

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F)NC1=O

InChI

InChI=1S/C22H27FN4O3S2/c23-18-4-1-2-5-20(18)27-13-11-26(12-14-27)10-3-9-24-32(29,30)17-6-7-21-19(16-17)25-22(28)8-15-31-21/h1-2,4-7,16,24H,3,8-15H2,(H,25,28)