N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[[1-(2-furylmethyl)-4-piperidyl]methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidinyl]methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[[1-(2-furfuryl)-4-piperidyl]methyl]-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3CCN(CC3)CC4=CC=CO4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3CCN(CC3)CC4=CC=CO4

InChI

InChI=1S/C21H27N3O4S2/c1-15-11-21(25)23-19-12-18(4-5-20(19)29-15)30(26,27)22-13-16-6-8-24(9-7-16)14-17-3-2-10-28-17/h2-5,10,12,15-16,22H,6-9,11,13-14H2,1H3,(H,23,25)