N-[3-(dimethylamino)propyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[3-(dimethylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[3-(dimethylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[3-(dimethylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[3-(dimethylamino)propyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C14H21N3O3S2 MolecularWeight: 343.46484

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNS(=O)(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

CN(C)CCCNS(=O)(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C14H21N3O3S2/c1-17(2)8-3-7-15-22(19,20)11-4-5-13-12(10-11)16-14(18)6-9-21-13/h4-5,10,15H,3,6-9H2,1-2H3,(H,16,18)