2-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CN3CCC(CC3)(C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CN3CCC(CC3)(C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C22H25ClN2O2S/c23-18-8-6-17(7-9-18)22(27)10-13-24(14-11-22)16-21(26)25-12-3-15-28-20-5-2-1-4-19(20)25/h1-2,4-9,27H,3,10-16H2