N-(furan-2-ylmethyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-(furan-2-ylmethyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(2-furylmethyl)-2-methyl-N-(3-morpholinopropyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(2-furanylmethyl)-2-methyl-N-[3-(4-morpholinyl)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(furan-2-ylmethyl)-2-methyl-N-(3-morpholin-4-ylpropyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(2-furfuryl)-4-keto-2-methyl-N-(3-morpholinopropyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N(CCCN3CCOCC3)CC4=CC=CO4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N(CCCN3CCOCC3)CC4=CC=CO4

InChI

InChI=1S/C22H29N3O5S2/c1-17-14-22(26)23-20-15-19(5-6-21(20)31-17)32(27,28)25(16-18-4-2-11-30-18)8-3-7-24-9-12-29-13-10-24/h2,4-6,11,15,17H,3,7-10,12-14,16H2,1H3,(H,23,26)