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

Systemtic Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide CAS Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N,N,1-triethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N,N,1-triethylbenzimidazole-5-sulfonamide Traditional Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1CCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H32N4O3S/c1-4-28(5-2)33(31,32)21-11-12-23-22(17-21)26-24(29(23)6-3)13-14-25(30)27-16-15-19-9-7-8-10-20(19)18-27/h7-12,17H,4-6,13-16,18H2,1-3H3