4-[2-[[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxidanylidene-propyl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxo-propyl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-oxopropyl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-keto-propyl]amino]ethyl]benzenesulfonamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CCNCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CCNCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C20H25N3O3S2/c21-28(25,26)17-8-6-16(7-9-17)10-12-22-13-11-20(24)23-14-3-15-27-19-5-2-1-4-18(19)23/h1-2,4-9,22H,3,10-15H2,(H2,21,25,26)