(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[5-(phenylsulfonylmethyl)furan-2-yl]methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[5-(phenylsulfonylmethyl)furan-2-yl]methanone Openeye Name: [5-(benzenesulfonylmethyl)-2-furyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: [5-(benzenesulfonylmethyl)-2-furanyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: [5-(benzenesulfonylmethyl)furan-2-yl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: [5-(besylmethyl)-2-furyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(O3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO4S2/c1-16-13-14-23(19-9-5-6-10-21(19)28-16)22(24)20-12-11-17(27-20)15-29(25,26)18-7-3-2-4-8-18/h2-12,16H,13-15H2,1H3