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

Systemtic Name: (4-fluoranyl-3-piperidin-1-ylsulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: [4-fluoro-3-(1-piperidylsulfonyl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [4-fluoro-3-(1-piperidinylsulfonyl)phenyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: (4-fluoro-3-piperidin-1-ylsulfonylphenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (4-fluoro-3-piperidinosulfonyl-phenyl)-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C22H25FN2O3S2 MolecularWeight: 448.573903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H25FN2O3S2/c1-16-11-14-25(19-7-3-4-8-20(19)29-16)22(26)17-9-10-18(23)21(15-17)30(27,28)24-12-5-2-6-13-24/h3-4,7-10,15-16H,2,5-6,11-14H2,1H3