2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(3-fluorophenyl)sulfonylpiperazino]ethanone Formula: C21H24FN3O3S2 MolecularWeight: 449.561963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C21H24FN3O3S2/c22-17-5-3-6-18(15-17)30(27,28)25-12-10-23(11-13-25)21(26)16-24-9-4-14-29-20-8-2-1-7-19(20)24/h1-3,5-8,15H,4,9-14,16H2