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

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCCNS(=O)(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCCNS(=O)(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H25N3O3S2/c25-21-9-13-28-20-7-6-18(14-19(20)23-21)29(26,27)22-10-3-11-24-12-8-16-4-1-2-5-17(16)15-24/h1-2,4-7,14,22H,3,8-13,15H2,(H,23,25)