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

Systemtic Name: N-[3-(diethylamino)propyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[3-(diethylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[3-(diethylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[3-(diethylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[3-(diethylamino)propyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H25N3O3S2 MolecularWeight: 371.518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNS(=O)(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

CCN(CC)CCCNS(=O)(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C16H25N3O3S2/c1-3-19(4-2)10-5-9-17-24(21,22)13-6-7-15-14(12-13)18-16(20)8-11-23-15/h6-7,12,17H,3-5,8-11H2,1-2H3,(H,18,20)