7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(2-fluorophenyl)piperazino]sulfonyl-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C20H22FN3O3S2 MolecularWeight: 435.535383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)NC1=O

InChI

InChI=1S/C20H22FN3O3S2/c1-14-13-28-19-7-6-15(12-17(19)22-20(14)25)29(26,27)24-10-8-23(9-11-24)18-5-3-2-4-16(18)21/h2-7,12,14H,8-11,13H2,1H3,(H,22,25)