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

Systemtic Name: 3,3-dibutyl-7-fluoranyl-5-(3-nitrophenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Openeye Name: 3,3-dibutyl-7-fluoro-5-(3-nitrophenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide CAS Name: 3,3-dibutyl-7-fluoro-5-(3-nitrophenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide IUPAC Name: 3,3-dibutyl-7-fluoro-5-(3-nitrophenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Traditional Name: 3,3-dibutyl-7-fluoro-5-(3-nitrophenyl)-2H-1$l^{6},4-benzothiazepine 1,1-dioxide Formula: C23H27FN2O4S MolecularWeight: 446.534883

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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)[N+](=O)[O-])CCCC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)F)C(=N1)C3=CC(=CC=C3)[N+](=O)[O-])CCCC

InChI

InChI=1S/C23H27FN2O4S/c1-3-5-12-23(13-6-4-2)16-31(29,30)21-11-10-18(24)15-20(21)22(25-23)17-8-7-9-19(14-17)26(27)28/h7-11,14-15H,3-6,12-13,16H2,1-2H3