5-[2,4-bis(fluoranyl)phenyl]-3-butyl-3-ethyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide

Systemtic Name: 5-[2,4-bis(fluoranyl)phenyl]-3-butyl-3-ethyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Openeye Name: 3-butyl-5-(2,4-difluorophenyl)-3-ethyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide CAS Name: 3-butyl-5-(2,4-difluorophenyl)-3-ethyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide IUPAC Name: 3-butyl-5-(2,4-difluorophenyl)-3-ethyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Traditional Name: 3-butyl-5-(2,4-difluorophenyl)-3-ethyl-4,5-dihydro-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Formula: C21H25F2NO2S MolecularWeight: 393.490506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=CC=CC=C2C(N1)C3=C(C=C(C=C3)F)F)CC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=CC=CC=C2C(N1)C3=C(C=C(C=C3)F)F)CC

InChI

InChI=1S/C21H25F2NO2S/c1-3-5-12-21(4-2)14-27(25,26)19-9-7-6-8-17(19)20(24-21)16-11-10-15(22)13-18(16)23/h6-11,13,20,24H,3-5,12,14H2,1-2H3