(2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone

Systemtic Name: (2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: (2-fluoro-5-morpholinosulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [2-fluoro-5-(4-morpholinylsulfonyl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (2-fluoro-5-morpholin-4-ylsulfonylphenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (2-fluoro-5-morpholinosulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C21H23FN2O4S2 MolecularWeight: 450.546723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F

InChI

InChI=1S/C21H23FN2O4S2/c1-15-8-9-24(19-4-2-3-5-20(19)29-15)21(25)17-14-16(6-7-18(17)22)30(26,27)23-10-12-28-13-11-23/h2-7,14-15H,8-13H2,1H3