7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(furan-2-ylcarbonyl)piperazin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]sulfonyl]-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(2-furoyl)piperazino]sulfonyl-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C19H21N3O5S2/c1-13-11-18(23)20-15-12-14(4-5-17(15)28-13)29(25,26)22-8-6-21(7-9-22)19(24)16-3-2-10-27-16/h2-5,10,12-13H,6-9,11H2,1H3,(H,20,23)