3,3-dibutyl-7-fluoranyl-5-(3-methylphenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide

Systemtic Name: 3,3-dibutyl-7-fluoranyl-5-(3-methylphenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Openeye Name: 3,3-dibutyl-7-fluoro-5-(m-tolyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide CAS Name: 3,3-dibutyl-7-fluoro-5-(3-methylphenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide IUPAC Name: 3,3-dibutyl-7-fluoro-5-(3-methylphenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Traditional Name: 3,3-dibutyl-7-fluoro-5-(m-tolyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Formula: C24H30FNO2S MolecularWeight: 415.563903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30FNO2S/c1-4-6-13-24(14-7-5-2)17-29(27,28)22-12-11-20(25)16-21(22)23(26-24)19-10-8-9-18(3)15-19/h8-12,15-16H,4-7,13-14,17H2,1-3H3