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

Systemtic Name: 2-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 2-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 2-methyl-7-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 2-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 2-methyl-7-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H22F3N3O3S2 MolecularWeight: 485.54289

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O3S2/c1-14-11-20(28)25-18-13-17(5-6-19(18)31-14)32(29,30)27-9-7-26(8-10-27)16-4-2-3-15(12-16)21(22,23)24/h2-6,12-14H,7-11H2,1H3,(H,25,28)