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

Systemtic Name: N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(2-furylmethyl)-N-(3-morpholinopropyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(2-furanylmethyl)-N-[3-(4-morpholinyl)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(2-furfuryl)-4-keto-N-(3-morpholinopropyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)N(CCCN3CCOCC3)CC4=CC=CO4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)N(CCCN3CCOCC3)CC4=CC=CO4)NC1=O

InChI

InChI=1S/C21H27N3O5S2/c25-21-6-14-30-20-5-4-18(15-19(20)22-21)31(26,27)24(16-17-3-1-11-29-17)8-2-7-23-9-12-28-13-10-23/h1,3-5,11,15H,2,6-10,12-14,16H2,(H,22,25)