3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[1-(phenylsulfonyl)piperidin-4-yl]methanone

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[1-(phenylsulfonyl)piperidin-4-yl]methanone Openeye Name: [1-(benzenesulfonyl)-4-piperidyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [1-(benzenesulfonyl)-4-piperidinyl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: [1-(benzenesulfonyl)piperidin-4-yl]-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (1-besyl-4-piperidyl)-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H24N2O3S2/c24-21(23-13-6-16-27-20-10-5-4-9-19(20)23)17-11-14-22(15-12-17)28(25,26)18-7-2-1-3-8-18/h1-5,7-10,17H,6,11-16H2