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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCN3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCN3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H27FN4O3S2/c1-16-14-22(28)25-19-15-17(6-7-21(19)31-16)32(29,30)24-8-9-26-10-12-27(13-11-26)20-5-3-2-4-18(20)23/h2-7,15-16,24H,8-14H2,1H3,(H,25,28)